Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1,366 – 1,380 of 270,375 results

1,366

5-(Isocyanatomethyl)-1,3-benzodioxole, ≥97%, Thermo Scientific™

CAS: 71217-46-4 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD08435909 InChI Key: RIUNOJGBBOBVDE-UHFFFAOYSA-N Synonym: 5-isocyanatomethyl-2h-1,3-benzodioxole,5-isocyanatomethyl-1,3-benzodioxole,1,3-benzodioxole,5-isocyanatomethyl,1,3-benzodioxole, 5-isocyanatomethyl,3,4-methylenedioxy benzyl isocyanate,1,3-benzodioxol-5-ylmethyl isocyanate,5-isocyanatomethyl benzo d 1,3 dioxole,2h-benzo 3,4-d 1,3-dioxolan-5-ylmethanisocyanate PubChem CID: 15932354 IUPAC Name: 5-(isocyanatomethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CN=C=O

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Specifications

PubChem CID	15932354
CAS	71217-46-4
Molecular Weight (g/mol)	177.159
MDL Number	MFCD08435909
SMILES	C1OC2=C(O1)C=C(C=C2)CN=C=O
Synonym	5-isocyanatomethyl-2h-1,3-benzodioxole,5-isocyanatomethyl-1,3-benzodioxole,1,3-benzodioxole,5-isocyanatomethyl,1,3-benzodioxole, 5-isocyanatomethyl,3,4-methylenedioxy benzyl isocyanate,1,3-benzodioxol-5-ylmethyl isocyanate,5-isocyanatomethyl benzo d 1,3 dioxole,2h-benzo 3,4-d 1,3-dioxolan-5-ylmethanisocyanate
IUPAC Name	5-(isocyanatomethyl)-1,3-benzodioxole
InChI Key	RIUNOJGBBOBVDE-UHFFFAOYSA-N
Molecular Formula	C9H7NO3

1,367

2-Pyrid-4-ylpyrimidine-5-carboxylic acid, 90%, Thermo Scientific™

CAS: 259807-47-1 Molecular Formula: C10H7N3O2 Molecular Weight (g/mol): 201.185 MDL Number: MFCD09863218 InChI Key: GTKJGOOMSODGOU-UHFFFAOYSA-N Synonym: 2-pyridin-4-yl pyrimidine-5-carboxylic acid,2-pyrid-4-ylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-4-pyridinyl,2-4-pyridyl pyrimidine-5-carboxylic acid,2-4-pyridinyl-5-pyrimidinecarboxylic acid,2-pyridin-4-yl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 2-4-pyridinyl,5-pyrimidinecarboxylic acid, 2-4-pyridinyl-9ci PubChem CID: 22710213 IUPAC Name: 2-pyridin-4-ylpyrimidine-5-carboxylic acid SMILES: C1=CN=CC=C1C2=NC=C(C=N2)C(=O)O

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Specifications

PubChem CID	22710213
CAS	259807-47-1
Molecular Weight (g/mol)	201.185
MDL Number	MFCD09863218
SMILES	C1=CN=CC=C1C2=NC=C(C=N2)C(=O)O
Synonym	2-pyridin-4-yl pyrimidine-5-carboxylic acid,2-pyrid-4-ylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-4-pyridinyl,2-4-pyridyl pyrimidine-5-carboxylic acid,2-4-pyridinyl-5-pyrimidinecarboxylic acid,2-pyridin-4-yl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 2-4-pyridinyl,5-pyrimidinecarboxylic acid, 2-4-pyridinyl-9ci
IUPAC Name	2-pyridin-4-ylpyrimidine-5-carboxylic acid
InChI Key	GTKJGOOMSODGOU-UHFFFAOYSA-N
Molecular Formula	C10H7N3O2

1,368

4-Bromo-1,3-benzodioxole, 97%, Thermo Scientific™

CAS: 6698-13-1 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD02681890 InChI Key: VZPMQHSDFWAZHP-UHFFFAOYSA-N PubChem CID: 2776189 IUPAC Name: 4-bromo-1,3-benzodioxole SMILES: C1OC2=C(O1)C(=CC=C2)Br

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Specifications

PubChem CID	2776189
CAS	6698-13-1
Molecular Weight (g/mol)	201.019
MDL Number	MFCD02681890
SMILES	C1OC2=C(O1)C(=CC=C2)Br
IUPAC Name	4-bromo-1,3-benzodioxole
InChI Key	VZPMQHSDFWAZHP-UHFFFAOYSA-N
Molecular Formula	C7H5BrO2

1,369

5-Pyrid-3-ylthiophene-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 278803-20-6 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 MDL Number: MFCD06496471 InChI Key: HENDYXUZFUWIMG-UHFFFAOYSA-N Synonym: 5-pyrid-3-ylthiophene-2-carboxylic acid,5-pyridin-3-yl thiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 5-3-pyridinyl,5-3-pyridyl thiophene-2-carboxylic acid,5-pyridin-3-yl-thiophene-2-carboxylic acid,5-3-pyridinyl-2-thiophenecarboxylic acid,2-thiophenecarboxylic acid, 5-3-pyridinyl PubChem CID: 4739100 IUPAC Name: 5-pyridin-3-ylthiophene-2-carboxylic acid SMILES: C1=CC(=CN=C1)C2=CC=C(S2)C(=O)O

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Specifications

PubChem CID	4739100
CAS	278803-20-6
Molecular Weight (g/mol)	205.231
MDL Number	MFCD06496471
SMILES	C1=CC(=CN=C1)C2=CC=C(S2)C(=O)O
Synonym	5-pyrid-3-ylthiophene-2-carboxylic acid,5-pyridin-3-yl thiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 5-3-pyridinyl,5-3-pyridyl thiophene-2-carboxylic acid,5-pyridin-3-yl-thiophene-2-carboxylic acid,5-3-pyridinyl-2-thiophenecarboxylic acid,2-thiophenecarboxylic acid, 5-3-pyridinyl
IUPAC Name	5-pyridin-3-ylthiophene-2-carboxylic acid
InChI Key	HENDYXUZFUWIMG-UHFFFAOYSA-N
Molecular Formula	C10H7NO2S

1,370

5-Isocyanato-1-methyl-1H-indole, 97%, Thermo Scientific™

CAS: 884507-16-8 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.19 MDL Number: MFCD09702358 InChI Key: RDQRMCJCROUHOF-UHFFFAOYSA-N PubChem CID: 24229489 SMILES: CN1C=CC2=CC(=CC=C12)N=C=O

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Specifications

PubChem CID	24229489
CAS	884507-16-8
Molecular Weight (g/mol)	172.19
MDL Number	MFCD09702358
SMILES	CN1C=CC2=CC(=CC=C12)N=C=O
InChI Key	RDQRMCJCROUHOF-UHFFFAOYSA-N
Molecular Formula	C10H8N2O

1,371

(4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)acetic acid, 97%, Thermo Scientific™

CAS: 57153-43-2 Molecular Formula: C10H12O3S Molecular Weight (g/mol): 212.263 MDL Number: MFCD01850960 InChI Key: MBZWBAMMUGJINB-UHFFFAOYSA-N Synonym: 4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl acetic acid,4-methyl-6h,7h-thieno 3,2-c pyran-4-yl acetic acid,4h-thieno 3,2-c pyran-4-aceticacid, 6,7-dihydro-4-methyl,2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl acetic acid,2-4-methyl-6,7-dihydro-4h-thiopheno 3,2-c pyran-4-yl acetic acid PubChem CID: 12225898 IUPAC Name: 2-(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)acetic acid SMILES: CC1(C2=C(CCO1)SC=C2)CC(=O)O

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Specifications

PubChem CID	12225898
CAS	57153-43-2
Molecular Weight (g/mol)	212.263
MDL Number	MFCD01850960
SMILES	CC1(C2=C(CCO1)SC=C2)CC(=O)O
Synonym	4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl acetic acid,4-methyl-6h,7h-thieno 3,2-c pyran-4-yl acetic acid,4h-thieno 3,2-c pyran-4-aceticacid, 6,7-dihydro-4-methyl,2-4-methyl-6,7-dihydro-4h-thieno 3,2-c pyran-4-yl acetic acid,2-4-methyl-6,7-dihydro-4h-thiopheno 3,2-c pyran-4-yl acetic acid
IUPAC Name	2-(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)acetic acid
InChI Key	MBZWBAMMUGJINB-UHFFFAOYSA-N
Molecular Formula	C10H12O3S

1,372

1-Methyl-1H-indole-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 69047-36-5 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD11109329 InChI Key: JOBIAZYEJOMXEP-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-7-carbaldehyde,1h-indole-7-carboxaldehyde, 1-methyl,1-methyl-7-formylindole,n-methylindole-7-carboxaldehyde,jobiazyejomxep-uhfffaoysa,1-methyl-1h-indole-7-carboxaldehyde,1h-indole-7-carboxaldehyde, 1-methyl-9ci PubChem CID: 11040979 IUPAC Name: 1-methylindole-7-carbaldehyde SMILES: CN1C=CC2=C1C(=CC=C2)C=O

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Specifications

PubChem CID	11040979
CAS	69047-36-5
Molecular Weight (g/mol)	159.188
MDL Number	MFCD11109329
SMILES	CN1C=CC2=C1C(=CC=C2)C=O
Synonym	1-methyl-1h-indole-7-carbaldehyde,1h-indole-7-carboxaldehyde, 1-methyl,1-methyl-7-formylindole,n-methylindole-7-carboxaldehyde,jobiazyejomxep-uhfffaoysa,1-methyl-1h-indole-7-carboxaldehyde,1h-indole-7-carboxaldehyde, 1-methyl-9ci
IUPAC Name	1-methylindole-7-carbaldehyde
InChI Key	JOBIAZYEJOMXEP-UHFFFAOYSA-N
Molecular Formula	C10H9NO

1,373

4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 95124-68-8 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.185 MDL Number: MFCD06797475 InChI Key: DTKAUYQBZSOHRJ-UHFFFAOYSA-N Synonym: 4-5-methyl-1,2,4-oxadiazol-3-yl benzoic acid,3-4-carboxyphenyl-5-methyl-1,2,4-oxadiazole,4-5-methyl-1,2,4 oxadiazol-3-yl-benzoic acid,benzoic acid, 4-5-methyl-1,2,4-oxadiazol-3-yl,acmc-209xiw,4-5-methyl-1,2,4-oxadiazol-3-yl benzoicacid PubChem CID: 7127808 IUPAC Name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	7127808
CAS	95124-68-8
Molecular Weight (g/mol)	204.185
MDL Number	MFCD06797475
SMILES	CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
Synonym	4-5-methyl-1,2,4-oxadiazol-3-yl benzoic acid,3-4-carboxyphenyl-5-methyl-1,2,4-oxadiazole,4-5-methyl-1,2,4 oxadiazol-3-yl-benzoic acid,benzoic acid, 4-5-methyl-1,2,4-oxadiazol-3-yl,acmc-209xiw,4-5-methyl-1,2,4-oxadiazol-3-yl benzoicacid
IUPAC Name	4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
InChI Key	DTKAUYQBZSOHRJ-UHFFFAOYSA-N
Molecular Formula	C10H8N2O3

1,374

5-Phenylpyridine-2-carboxylic acid, 95%, Thermo Scientific™

CAS: 75754-04-0 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD04114189 InChI Key: CNCJXSKAKGXNKJ-UHFFFAOYSA-N Synonym: 5-phenylpicolinic acid,2-pyridinecarboxylic acid, 5-phenyl,5-phenylpicolinicacid,pubchem22107,5-phenyl-picolinic acid,acmc-1bb5a,2-carboxy-5-phenylpyridine,3-phenyl-6-carboxypyridine,5-phenyl-2-pyridinecarboxylic acid,5-phenyl-pyridine-2-carboxylic acid PubChem CID: 2762870 IUPAC Name: 5-phenylpyridine-2-carboxylic acid SMILES: C1=CC=C(C=C1)C2=CN=C(C=C2)C(=O)O

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Specifications

PubChem CID	2762870
CAS	75754-04-0
Molecular Weight (g/mol)	199.209
MDL Number	MFCD04114189
SMILES	C1=CC=C(C=C1)C2=CN=C(C=C2)C(=O)O
Synonym	5-phenylpicolinic acid,2-pyridinecarboxylic acid, 5-phenyl,5-phenylpicolinicacid,pubchem22107,5-phenyl-picolinic acid,acmc-1bb5a,2-carboxy-5-phenylpyridine,3-phenyl-6-carboxypyridine,5-phenyl-2-pyridinecarboxylic acid,5-phenyl-pyridine-2-carboxylic acid
IUPAC Name	5-phenylpyridine-2-carboxylic acid
InChI Key	CNCJXSKAKGXNKJ-UHFFFAOYSA-N
Molecular Formula	C12H9NO2

1,375

5-[(Benzoylamino)methyl]thiophene-2-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 138872-44-3 Molecular Formula: C12H10ClNO3S2 Molecular Weight (g/mol): 315.786 MDL Number: MFCD00052130 InChI Key: VGSWVDWOXYTAPG-UHFFFAOYSA-N Synonym: 5-benzoylamino methyl thiophene-2-sulfonyl chloride,5-benzamidomethyl thiophene-2-sulfonyl chloride,2-benzoylaminomethyl thiophene-5-sulfonylchloride,2-benzoylaminomethyl thiophene-5-sulfonyl chloride,2-thiophenesulfonylchloride, 5-benzoylamino methyl,5-phenylformamido methyl thiophene-2-sulfonyl chloride,5-benzoylamino methyl thiophene-2-sulphonyl chloride,pubchem5470,acmc-20c3wu,5-benzamidomethyl thiophene-2-sulfonylchloride PubChem CID: 2778878 IUPAC Name: 5-(benzamidomethyl)thiophene-2-sulfonyl chloride SMILES: C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl

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Specifications

PubChem CID	2778878
CAS	138872-44-3
Molecular Weight (g/mol)	315.786
MDL Number	MFCD00052130
SMILES	C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl
Synonym	5-benzoylamino methyl thiophene-2-sulfonyl chloride,5-benzamidomethyl thiophene-2-sulfonyl chloride,2-benzoylaminomethyl thiophene-5-sulfonylchloride,2-benzoylaminomethyl thiophene-5-sulfonyl chloride,2-thiophenesulfonylchloride, 5-benzoylamino methyl,5-phenylformamido methyl thiophene-2-sulfonyl chloride,5-benzoylamino methyl thiophene-2-sulphonyl chloride,pubchem5470,acmc-20c3wu,5-benzamidomethyl thiophene-2-sulfonylchloride
IUPAC Name	5-(benzamidomethyl)thiophene-2-sulfonyl chloride
InChI Key	VGSWVDWOXYTAPG-UHFFFAOYSA-N
Molecular Formula	C12H10ClNO3S2

1,376

1-Methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 116855-09-5 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD11109332 InChI Key: WEZYUZRHWLFJDN-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazolo 3,4-b pyridine-3-carboxylic acid,1-methylpyrazolo 3,4-b pyridine-3-carboxylic acid,1h-pyrazolo 3,4-b pyridine-3-carboxylicacid,1-methyl,1h-pyrazolo 3,4-b pyridine-3-carboxylicacid, 1-methyl,1h-pyrazolo 3,4-b pyridine-3-carboxylic acid, 1-methyl,acmc-1bnof,1-methyl-3-pyrazolo 3,4-b pyridinecarboxylic acid,1-methylpyrazolo 5,4-b pyridine-3-carboxylic acid PubChem CID: 14140175 IUPAC Name: 1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid SMILES: CN1C2=C(C=CC=N2)C(=N1)C(=O)O

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Specifications

PubChem CID	14140175
CAS	116855-09-5
Molecular Weight (g/mol)	177.163
MDL Number	MFCD11109332
SMILES	CN1C2=C(C=CC=N2)C(=N1)C(=O)O
Synonym	1-methyl-1h-pyrazolo 3,4-b pyridine-3-carboxylic acid,1-methylpyrazolo 3,4-b pyridine-3-carboxylic acid,1h-pyrazolo 3,4-b pyridine-3-carboxylicacid,1-methyl,1h-pyrazolo 3,4-b pyridine-3-carboxylicacid, 1-methyl,1h-pyrazolo 3,4-b pyridine-3-carboxylic acid, 1-methyl,acmc-1bnof,1-methyl-3-pyrazolo 3,4-b pyridinecarboxylic acid,1-methylpyrazolo 5,4-b pyridine-3-carboxylic acid
IUPAC Name	1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid
InChI Key	WEZYUZRHWLFJDN-UHFFFAOYSA-N
Molecular Formula	C8H7N3O2

1,377

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6-Amino-2-methylquinoline, 97%

CAS: 65079-19-8 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00052600 InChI Key: TYJFYUVDUUACKX-UHFFFAOYSA-N PubChem CID: 103148 IUPAC Name: 2-methylquinolin-6-amine SMILES: CC1=NC2=C(C=C1)C=C(C=C2)N

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Specifications

PubChem CID	103148
CAS	65079-19-8
Molecular Weight (g/mol)	158.204
MDL Number	MFCD00052600
SMILES	CC1=NC2=C(C=C1)C=C(C=C2)N
IUPAC Name	2-methylquinolin-6-amine
InChI Key	TYJFYUVDUUACKX-UHFFFAOYSA-N
Molecular Formula	C10H10N2

1,378

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N-Acetonylpyridinium chloride, 97%

CAS: 42508-60-1 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00031949 InChI Key: JHYYWKUENNZTMD-UHFFFAOYSA-M Synonym: 1-acetonylpyridinium chloride,n-acetonylpyridinium chloride,1-2-oxopropyl pyridinium chloride,1-2-oxopropyl pyridin-1-ium chloride,acmc-209jpw,1-acetonylpyridiniumchloride,1-pyridin-1-ium-1-ylpropan-2-one chloride,1-2-oxopropyl-2h-pyridin-2-ylium chloride PubChem CID: 2734121 SMILES: [Cl-].CC(=O)C[N+]1=CC=CC=C1

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Specifications

PubChem CID	2734121
CAS	42508-60-1
Molecular Weight (g/mol)	171.62
MDL Number	MFCD00031949
SMILES	[Cl-].CC(=O)C[N+]1=CC=CC=C1
Synonym	1-acetonylpyridinium chloride,n-acetonylpyridinium chloride,1-2-oxopropyl pyridinium chloride,1-2-oxopropyl pyridin-1-ium chloride,acmc-209jpw,1-acetonylpyridiniumchloride,1-pyridin-1-ium-1-ylpropan-2-one chloride,1-2-oxopropyl-2h-pyridin-2-ylium chloride
InChI Key	JHYYWKUENNZTMD-UHFFFAOYSA-M
Molecular Formula	C8H10ClNO

1,379

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2,6-Lutidine N-oxide, 98%

CAS: 1073-23-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00039715 InChI Key: LIDGFHXPUOJZMK-UHFFFAOYSA-N Synonym: 2,6-dimethylpyridine n-oxide,2,6-lutidine n-oxide,2,6-lutidine-n-oxide,2,6-dimethylpyridine 1-oxide,2,6-lutidine 1-oxide,pyridine, 2,6-dimethyl-, 1-oxide,2,6-lutidine oxide,2,6-dimethylpyridine oxide,2,6-dimethylpyridinium n-oxide,2,6-dimethylpyridin-1-ium-1-olate PubChem CID: 14083 IUPAC Name: 2,6-dimethyl-1-oxidopyridin-1-ium SMILES: CC1=[N+](C(=CC=C1)C)[O-]

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Specifications

PubChem CID	14083
CAS	1073-23-0
Molecular Weight (g/mol)	123.155
MDL Number	MFCD00039715
SMILES	CC1=[N+](C(=CC=C1)C)[O-]
Synonym	2,6-dimethylpyridine n-oxide,2,6-lutidine n-oxide,2,6-lutidine-n-oxide,2,6-dimethylpyridine 1-oxide,2,6-lutidine 1-oxide,pyridine, 2,6-dimethyl-, 1-oxide,2,6-lutidine oxide,2,6-dimethylpyridine oxide,2,6-dimethylpyridinium n-oxide,2,6-dimethylpyridin-1-ium-1-olate
IUPAC Name	2,6-dimethyl-1-oxidopyridin-1-ium
InChI Key	LIDGFHXPUOJZMK-UHFFFAOYSA-N
Molecular Formula	C7H9NO

1,380

Nicotine bitartrate dihydrate, MP Biomedicals

CAS: 6-3-6019 Molecular Formula: C18H30N2O14 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate IUPAC Name: bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1

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Specifications

CAS	6-3-6019
Molecular Weight (g/mol)	498.44
MDL Number	MFCD00150899
SMILES	O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
Synonym	nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate
IUPAC Name	bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate
InChI Key	LDMPZNTVIGIREC-HYRPJEHINA-N
Molecular Formula	C18H30N2O14

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