Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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2,191 – 2,205 of 208,279 results

2,191

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Isobornyl acrylate, tech. 85%, stab. with 100ppm 4-methoxyphenol, Thermo Scientific Chemicals

CAS: 5888-33-5 Molecular Formula: C13H20O2 Molecular Weight (g/mol): 208.30 MDL Number: MFCD00080424 InChI Key: PSGCQDPCAWOCSH-BOURZNODSA-N Synonym: isobornyl acrylate,acrylic acid isobornyl ester,1,7,7-trimethyltricyclo 2.2.1 hepten-2-yl-2-propenoate PubChem CID: 122130333 IUPAC Name: [(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] prop-2-enoate SMILES: CC1(C)[C@H]2CC[C@]1(C)C(C2)OC(=O)C=C

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PubChem CID	122130333
CAS	5888-33-5
Molecular Weight (g/mol)	208.30
MDL Number	MFCD00080424
SMILES	CC1(C)[C@H]2CC[C@]1(C)C(C2)OC(=O)C=C
Synonym	isobornyl acrylate,acrylic acid isobornyl ester,1,7,7-trimethyltricyclo 2.2.1 hepten-2-yl-2-propenoate
IUPAC Name	[(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] prop-2-enoate
InChI Key	PSGCQDPCAWOCSH-BOURZNODSA-N
Molecular Formula	C13H20O2

2,192

Pseudopelletierine, Thermo Scientific Chemicals

CAS: 552-70-5 Molecular Formula: C9H15NO Molecular Weight (g/mol): 153.23 InChI Key: RHWSKVCZXBAWLZ-UHFFFAOYNA-N IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one SMILES: CN1C2CCCC1CC(=O)C2

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Specifications

CAS	552-70-5
Molecular Weight (g/mol)	153.23
SMILES	CN1C2CCCC1CC(=O)C2
IUPAC Name	9-methyl-9-azabicyclo[3.3.1]nonan-3-one
InChI Key	RHWSKVCZXBAWLZ-UHFFFAOYNA-N
Molecular Formula	C9H15NO

2,193

LiChropur™ N-Isobutyryl-L-cysteine, For Chiral Derivatization, 97.0%, MilliporeSigma™ Supelco™

CAS: 124529-02-8 Molecular Formula: C7H13NO3S Molecular Weight (g/mol): 191.25 MDL Number: MFCD00155635 InChI Key: BWBQXMAXLAHHTK-YFKPBYRVSA-N Synonym: N-(2-Methylpropionyl)-L-cysteine IUPAC Name: (2R)-2-(2-methylpropanamido)-3-sulfanylpropanoic acid SMILES: CC(C)C(=O)N[C@@H](CS)C(O)=O

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Specifications

CAS	124529-02-8
Molecular Weight (g/mol)	191.25
MDL Number	MFCD00155635
SMILES	CC(C)C(=O)N[C@@H](CS)C(O)=O
Synonym	N-(2-Methylpropionyl)-L-cysteine
IUPAC Name	(2R)-2-(2-methylpropanamido)-3-sulfanylpropanoic acid
InChI Key	BWBQXMAXLAHHTK-YFKPBYRVSA-N
Molecular Formula	C7H13NO3S

2,194

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N-Benzyloxycarbonyl-L-aspartic acid 1-benzyl ester, 95%

CAS: 4779-31-1 Molecular Formula: C19H19NO6 Molecular Weight (g/mol): 357.36 MDL Number: MFCD00038594 InChI Key: UYOZWZKJQRBZRH-UHFFFAOYNA-N Synonym: z-asp-obzl,n-carbobenzyloxy-l-aspartic acid 1-benzyl ester,1-benzyl n-carbobenzyloxy-l-aspartate,3s-4-benzyloxy-3-benzyloxy carbonyl amino-4-oxobutanoic acid,3s-4-oxo-4-phenylmethoxy-3-phenylmethoxycarbonylamino butanoic acid,z-asp-obn,cbz-l-asp-obn,benzyloxycarbonyl-l-aspartic-benzyl ester,n-benzyloxycarbonyl-l-aspartic acid 1-benzyl ester,2-benzyl-oxycarbonylamino-succinic acid 1-benzyl ester PubChem CID: 6994509 IUPAC Name: 4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid SMILES: OC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	6994509
CAS	4779-31-1
Molecular Weight (g/mol)	357.36
MDL Number	MFCD00038594
SMILES	OC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
Synonym	z-asp-obzl,n-carbobenzyloxy-l-aspartic acid 1-benzyl ester,1-benzyl n-carbobenzyloxy-l-aspartate,3s-4-benzyloxy-3-benzyloxy carbonyl amino-4-oxobutanoic acid,3s-4-oxo-4-phenylmethoxy-3-phenylmethoxycarbonylamino butanoic acid,z-asp-obn,cbz-l-asp-obn,benzyloxycarbonyl-l-aspartic-benzyl ester,n-benzyloxycarbonyl-l-aspartic acid 1-benzyl ester,2-benzyl-oxycarbonylamino-succinic acid 1-benzyl ester
IUPAC Name	4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid
InChI Key	UYOZWZKJQRBZRH-UHFFFAOYNA-N
Molecular Formula	C19H19NO6

2,195

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2-chloromalonaldehyde, 95%

CAS: 36437-19-1 MDL Number: MFCD01320489 InChI Key: KTRZQCIGJUWSGE-UHFFFAOYSA-N Synonym: 2-chloromalonaldehyde,chloromalonaldehyde,propanedial, chloro,chloromalonalde-hyde,2-chloro-malonaldehyde,propanedial, 2-chloro,2-chloropropane-1,3-dial,chloromalonaldehyde; chloromalondialdehyde; chloromalonic dialdehyde;2-chloromalonaldehyde PubChem CID: 147646 IUPAC Name: 2-chloropropanedial SMILES: C(=O)C(C=O)Cl

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PubChem CID	147646
CAS	36437-19-1
MDL Number	MFCD01320489
SMILES	C(=O)C(C=O)Cl
Synonym	2-chloromalonaldehyde,chloromalonaldehyde,propanedial, chloro,chloromalonalde-hyde,2-chloro-malonaldehyde,propanedial, 2-chloro,2-chloropropane-1,3-dial,chloromalonaldehyde; chloromalondialdehyde; chloromalonic dialdehyde;2-chloromalonaldehyde
IUPAC Name	2-chloropropanedial
InChI Key	KTRZQCIGJUWSGE-UHFFFAOYSA-N

2,196

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Thermo Scientific Chemicals 4-Epianhydrotetracycline hydrochloride, can be used as a secondary standard

CAS: 4465-65-0 Molecular Formula: C₂₂H₂₂N₂O₇·HCl Molecular Weight (g/mol): 462.89 MDL Number: MFCD00151455 InChI Key: SPFAOPCHYIJPHJ-MOMXNFOMSA-N Synonym: 4-epianhydrotetracycline hydrochloride,unii-06y7hm8dba,06y7hm8dba,4-epi-anhydrotetracycline hydrochloride,4-epi-ahydrochloride,4-epianhydrotetracycline hcl,epianhydrotetracycline hydrochloride,4-epianhydrotetracycline hydrochloride, vetranal tm , analytical standard,4-epianhydrotetracycline hydrochloride, european pharmacopoeia ep reference standard,4-epianhydrotetracycline hydrochloride, united states pharmacopeia usp reference standard PubChem CID: 54682545 IUPAC Name: (4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C.Cl

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Specifications

PubChem CID	54682545
CAS	4465-65-0
Molecular Weight (g/mol)	462.89
MDL Number	MFCD00151455
SMILES	CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C.Cl
Synonym	4-epianhydrotetracycline hydrochloride,unii-06y7hm8dba,06y7hm8dba,4-epi-anhydrotetracycline hydrochloride,4-epi-ahydrochloride,4-epianhydrotetracycline hcl,epianhydrotetracycline hydrochloride,4-epianhydrotetracycline hydrochloride, vetranal tm , analytical standard,4-epianhydrotetracycline hydrochloride, european pharmacopoeia ep reference standard,4-epianhydrotetracycline hydrochloride, united states pharmacopeia usp reference standard
IUPAC Name	(4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
InChI Key	SPFAOPCHYIJPHJ-MOMXNFOMSA-N
Molecular Formula	C₂₂H₂₂N₂O₇·HCl

2,197

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Nutmeg Oil, East-Indian Type, FCC, Spectrum™ Chemical

CAS: 8008-45-5

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Specifications

CAS	8008-45-5

2,198

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Dantrolene Sodium, USP, 90-96%, Spectrum™ Chemical

CAS: 24868-20-0 Molecular Formula: C28H32N8Na2O17 Molecular Weight (g/mol): 798.58 InChI Key: LTWQNYPDAUSXBC-CDJGKPBYSA-L IUPAC Name: disodium bis(3-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]-2,5-dioxoimidazolidin-1-ide) heptahydrate SMILES: O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O.[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O

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Specifications

CAS	24868-20-0
Molecular Weight (g/mol)	798.58
SMILES	O.O.O.O.O.O.O.[Na+].[Na+].[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O.[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)[N-]C1=O
IUPAC Name	disodium bis(3-[(E)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]-2,5-dioxoimidazolidin-1-ide) heptahydrate
InChI Key	LTWQNYPDAUSXBC-CDJGKPBYSA-L
Molecular Formula	C28H32N8Na2O17

2,199

Embelin

CAS: 550-24-3 Molecular Formula: C17H26O4 Molecular Weight (g/mol): 294.39 MDL Number: MFCD00016369 InChI Key: IRSFLDGTOHBADP-UHFFFAOYSA-N Synonym: embelin,embelic acid,emberine,2,5-dihydroxy-3-undecyl-1,4-benzoquinone,2,5-dihydroxy-3-undecyl-p-benzoquinone,2,5-dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione,unii-shc6u8f5er,embelin, embelia ribes,xiap inhibitor, embelin,shc6u8f5er PubChem CID: 3218 ChEBI: CHEBI:4778 IUPAC Name: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione SMILES: CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

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Specifications

PubChem CID	3218
CAS	550-24-3
Molecular Weight (g/mol)	294.39
ChEBI	CHEBI:4778
MDL Number	MFCD00016369
SMILES	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
Synonym	embelin,embelic acid,emberine,2,5-dihydroxy-3-undecyl-1,4-benzoquinone,2,5-dihydroxy-3-undecyl-p-benzoquinone,2,5-dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione,unii-shc6u8f5er,embelin, embelia ribes,xiap inhibitor, embelin,shc6u8f5er
IUPAC Name	2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
InChI Key	IRSFLDGTOHBADP-UHFFFAOYSA-N
Molecular Formula	C17H26O4

2,200

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2,6-Dimethylbenzoquinone, 97%, Thermo Scientific™

CAS: 527-61-7 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00001605 InChI Key: SENUUPBBLQWHMF-UHFFFAOYSA-N Synonym: 2,6-dimethylbenzoquinone,2,6-dimethyl-1,4-benzoquinone,2,6-dimethyl-p-benzoquinone,m-xyloquinone,2,6-xyloquinone,2,6-dimethylquinone,2,5-cyclohexadiene-1,4-dione, 2,6-dimethyl,3,5-dimethylbenzoquinone,p-benzoquinone, 2,6-dimethyl,2,6-dimethyl-1,4-quinone PubChem CID: 68241 IUPAC Name: 2,6-dimethylcyclohexa-2,5-diene-1,4-dione SMILES: CC1=CC(=O)C=C(C1=O)C

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Specifications

PubChem CID	68241
CAS	527-61-7
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00001605
SMILES	CC1=CC(=O)C=C(C1=O)C
Synonym	2,6-dimethylbenzoquinone,2,6-dimethyl-1,4-benzoquinone,2,6-dimethyl-p-benzoquinone,m-xyloquinone,2,6-xyloquinone,2,6-dimethylquinone,2,5-cyclohexadiene-1,4-dione, 2,6-dimethyl,3,5-dimethylbenzoquinone,p-benzoquinone, 2,6-dimethyl,2,6-dimethyl-1,4-quinone
IUPAC Name	2,6-dimethylcyclohexa-2,5-diene-1,4-dione
InChI Key	SENUUPBBLQWHMF-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

2,201

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Pimobendan, EP, 98-101%, Spectrum™ Chemical

CAS: 74150-27-9 Molecular Formula: C19H18N4O2 Molecular Weight (g/mol): 334.38 InChI Key: GLBJJMFZWDBELO-UHFFFAOYNA-N IUPAC Name: 6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one SMILES: COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C

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Specifications

CAS	74150-27-9
Molecular Weight (g/mol)	334.38
SMILES	COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C
IUPAC Name	6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
InChI Key	GLBJJMFZWDBELO-UHFFFAOYNA-N
Molecular Formula	C19H18N4O2

2,202

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Vecuronium bromide, 98%, Thermo Scientific Chemicals

CAS: 50700-72-6 Molecular Formula: C34H57BrN2O4 Molecular Weight (g/mol): 637.74 InChI Key: VEPSYABRBFXYIB-PWXDFCLTSA-M IUPAC Name: 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium bromide SMILES: [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1

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Specifications

CAS	50700-72-6
Molecular Weight (g/mol)	637.74
SMILES	[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
IUPAC Name	1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium bromide
InChI Key	VEPSYABRBFXYIB-PWXDFCLTSA-M
Molecular Formula	C34H57BrN2O4

2,203

Doxycycline Hyclate USP MP Biomedicals

CAS: 24390-14-5 Molecular Formula: C26H41ClN2O12 Molecular Weight (g/mol): 609.066 InChI Key: ISZOFWGVNMFENH-YDLUHMIOSA-N Synonym: doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate; PubChem CID: 131676157 IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride SMILES: CCO.CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.O.Cl

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Specifications

PubChem CID	131676157
CAS	24390-14-5
Molecular Weight (g/mol)	609.066
SMILES	CCO.CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.O.Cl
Synonym	doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate;
IUPAC Name	(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride
InChI Key	ISZOFWGVNMFENH-YDLUHMIOSA-N
Molecular Formula	C26H41ClN2O12

2,204

Caerulein sulfated, >95%, MP Biomedicals™

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2,205

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Orotic acid hydrate, 98%

CAS: 50887-69-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00006027 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid monohydrate,orotic acid hydrate,2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate,lactinium,oroticum acidum,2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid,orotc acd hydrate?,uracil-6-carboxylic acid monohydrate,uracil-4-carboxylic acid hydrate PubChem CID: 16218504 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate SMILES: OC(=O)C1=CC(=O)NC(=O)N1

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Specifications

PubChem CID	16218504
CAS	50887-69-9
Molecular Weight (g/mol)	156.10
MDL Number	MFCD00006027
SMILES	OC(=O)C1=CC(=O)NC(=O)N1
Synonym	orotic acid monohydrate,orotic acid hydrate,2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate,lactinium,oroticum acidum,2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid,orotc acd hydrate?,uracil-6-carboxylic acid monohydrate,uracil-4-carboxylic acid hydrate
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate
InChI Key	PXQPEWDEAKTCGB-UHFFFAOYSA-N
Molecular Formula	C5H4N2O4

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