Organoheterocyclic compounds
Filtered Search Results
2,5-Dimethylthiophene-3-boronic acid, 95%
CAS: 162607-23-0 Molecular Formula: C6H9BO2S Molecular Weight (g/mol): 156.01 MDL Number: MFCD09837620 InChI Key: RFQHMNWNEOZRLK-UHFFFAOYSA-N Synonym: 2,5-dimethylthiophene-3-boronic acid,2,5-dimethylthiophen-3-yl boronic acid,2,5-dimethyl-3-thienyl boronic acid,boronic acid,b-2,5-dimethyl-3-thienyl,2,5-dimethyl-3-thienylboronic acid,2,5-dimethylthien-3-ylboronic acid,boronic acid, 2,5-dimethyl-3-thienyl PubChem CID: 45588123 IUPAC Name: (2,5-dimethylthiophen-3-yl)boronic acid SMILES: CC1=CC(B(O)O)=C(C)S1
| PubChem CID | 45588123 |
|---|---|
| CAS | 162607-23-0 |
| Molecular Weight (g/mol) | 156.01 |
| MDL Number | MFCD09837620 |
| SMILES | CC1=CC(B(O)O)=C(C)S1 |
| Synonym | 2,5-dimethylthiophene-3-boronic acid,2,5-dimethylthiophen-3-yl boronic acid,2,5-dimethyl-3-thienyl boronic acid,boronic acid,b-2,5-dimethyl-3-thienyl,2,5-dimethyl-3-thienylboronic acid,2,5-dimethylthien-3-ylboronic acid,boronic acid, 2,5-dimethyl-3-thienyl |
| IUPAC Name | (2,5-dimethylthiophen-3-yl)boronic acid |
| InChI Key | RFQHMNWNEOZRLK-UHFFFAOYSA-N |
| Molecular Formula | C6H9BO2S |
2-Methyl-6-(trifluoromethyl)nicotinic acid, 97%
CAS: 261635-93-2 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD01311990 InChI Key: ODWJFUQRQUCRJZ-UHFFFAOYSA-N Synonym: 2-methyl-6-trifluoromethyl nicotinic acid,2-methyl-6-trifluoromethyl pyridine-3-carboxylic acid,6-trifluoromethyl-2-methylpyridine-3-carboxylic acid,2-methyl-6-trifluoromethyl-nicotinic acid,maybridge4_000139,2-methyl-6-trifluoromethynicotinic acid,2-methyl-6-trifluoromethyinicotinic acid,2-methyl-6-trifluoromethylnicotinic acid,2-methyl-6-trifluoromethyl-3-pyridinecarboxylic acid PubChem CID: 2775683 IUPAC Name: 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C(O)=O
| PubChem CID | 2775683 |
|---|---|
| CAS | 261635-93-2 |
| Molecular Weight (g/mol) | 205.14 |
| MDL Number | MFCD01311990 |
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)C(O)=O |
| Synonym | 2-methyl-6-trifluoromethyl nicotinic acid,2-methyl-6-trifluoromethyl pyridine-3-carboxylic acid,6-trifluoromethyl-2-methylpyridine-3-carboxylic acid,2-methyl-6-trifluoromethyl-nicotinic acid,maybridge4_000139,2-methyl-6-trifluoromethynicotinic acid,2-methyl-6-trifluoromethyinicotinic acid,2-methyl-6-trifluoromethylnicotinic acid,2-methyl-6-trifluoromethyl-3-pyridinecarboxylic acid |
| IUPAC Name | 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI Key | ODWJFUQRQUCRJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO2 |
5-Methyl-2-phenyl-3-furoic acid, 97%, Thermo Scientific™
CAS: 64354-50-3 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00447900 InChI Key: CASZQQKUMVLKBY-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-3-furoic acid,3-furancarboxylic acid,5-methyl-2-phenyl,5-methyl-2-phenyl-furan-3-carboxylic acid,cbmicro_037588,phenuvic acid,cambridge id 5926078 PubChem CID: 761020 IUPAC Name: 5-methyl-2-phenylfuran-3-carboxylic acid SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)O
| PubChem CID | 761020 |
|---|---|
| CAS | 64354-50-3 |
| Molecular Weight (g/mol) | 202.209 |
| MDL Number | MFCD00447900 |
| SMILES | CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)O |
| Synonym | 5-methyl-2-phenyl-3-furoic acid,3-furancarboxylic acid,5-methyl-2-phenyl,5-methyl-2-phenyl-furan-3-carboxylic acid,cbmicro_037588,phenuvic acid,cambridge id 5926078 |
| IUPAC Name | 5-methyl-2-phenylfuran-3-carboxylic acid |
| InChI Key | CASZQQKUMVLKBY-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
MilliporeSigma™ Bisbenzimide H 33342 Fluorochrome, Trihydrochloride Calbiochem™,
CAS: 23491-52-3 Molecular Formula: C27H28N6O Molecular Weight (g/mol): 452.562 InChI Key: PRDFBSVERLRRMY-UHFFFAOYSA-N Synonym: hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole PubChem CID: 1464 ChEBI: CHEBI:51232 IUPAC Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole SMILES: CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
| PubChem CID | 1464 |
|---|---|
| CAS | 23491-52-3 |
| Molecular Weight (g/mol) | 452.562 |
| ChEBI | CHEBI:51232 |
| SMILES | CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C |
| Synonym | hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole |
| IUPAC Name | 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChI Key | PRDFBSVERLRRMY-UHFFFAOYSA-N |
| Molecular Formula | C27H28N6O |
4-(piperidin-1-ylmethyl)benzaldehyde, 95%, Thermo Scientific™
CAS: 471929-86-9 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.285 InChI Key: WWBOSCKXPMBVLG-UHFFFAOYSA-N PubChem CID: 7164649 IUPAC Name: 4-(piperidin-1-ylmethyl)benzaldehyde SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C=O
| PubChem CID | 7164649 |
|---|---|
| CAS | 471929-86-9 |
| Molecular Weight (g/mol) | 203.285 |
| SMILES | C1CCN(CC1)CC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-(piperidin-1-ylmethyl)benzaldehyde |
| InChI Key | WWBOSCKXPMBVLG-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO |
2-Methyl-N-(3-oxetanylidene)propane-2-sulfinamide, 95%, Thermo Scientific Chemicals
CAS: 1158098-73-7 Molecular Formula: C7H13NO2S Molecular Weight (g/mol): 175.246 MDL Number: MFCD14702522 InChI Key: VKUZMNXQGKBLHN-UHFFFAOYSA-N Synonym: 2-methyl-n-oxetan-3-ylidene propane-2-sulfinamide,2-methyl-n-3-oxetanylidene-2-propanesulfinamide,2-methyl-n-3-oxetanylidene propane-2-sulfinamide,3-tert-butylsulfinylmethylene oxetane,n-tert-butylsulfinyl oxetane-3-imine,2-methyl-n-oxetan-3-ylidene-propane-2-sulfinamide,2-methyl-n-oxetan-3-ylidene ;propane-2-sulfinamide,2-methyl-propane-2-sulfinic acid oxetan-3-ylideneamide,2-methylpropane-2-sulfinic acid oxetan-3-ylideneamide PubChem CID: 46839995 IUPAC Name: 2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide SMILES: CC(C)(C)S(=O)N=C1COC1
| PubChem CID | 46839995 |
|---|---|
| CAS | 1158098-73-7 |
| Molecular Weight (g/mol) | 175.246 |
| MDL Number | MFCD14702522 |
| SMILES | CC(C)(C)S(=O)N=C1COC1 |
| Synonym | 2-methyl-n-oxetan-3-ylidene propane-2-sulfinamide,2-methyl-n-3-oxetanylidene-2-propanesulfinamide,2-methyl-n-3-oxetanylidene propane-2-sulfinamide,3-tert-butylsulfinylmethylene oxetane,n-tert-butylsulfinyl oxetane-3-imine,2-methyl-n-oxetan-3-ylidene-propane-2-sulfinamide,2-methyl-n-oxetan-3-ylidene ;propane-2-sulfinamide,2-methyl-propane-2-sulfinic acid oxetan-3-ylideneamide,2-methylpropane-2-sulfinic acid oxetan-3-ylideneamide |
| IUPAC Name | 2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide |
| InChI Key | VKUZMNXQGKBLHN-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO2S |
1-Methylpiperidine-4-carboxylic acid hydrochloride, 96%
CAS: 71985-80-3 Molecular Formula: C7H14ClNO2 Molecular Weight (g/mol): 179.644 MDL Number: MFCD00190235 InChI Key: NLUDEWJJEMHIIL-UHFFFAOYSA-N Synonym: 1-methylpiperidine-4-carboxylic acid hydrochloride,1-methyl-piperidine-4-carboxylic acid hydrochloride,1-methylpiperidine-4-carboxylic acid hcl,4-carboxy-1-methyl-piperidine hcl,1-methyl-4-piperidinecarboxylic acid hydrochloride,1-methyl-piperidine-4-carboxylic acid hcl,4-piperidinecarboxylic acid, 1-methyl-, hydrochloride,1-methylpiperidine-4-carboxylic acid, chloride,4-piperidinecarboxylicacid,1-methyl-,hydrochloride 1:1,pubchem8007 PubChem CID: 2760043 IUPAC Name: 1-methylpiperidine-4-carboxylic acid;hydrochloride SMILES: CN1CCC(CC1)C(=O)O.Cl
| PubChem CID | 2760043 |
|---|---|
| CAS | 71985-80-3 |
| Molecular Weight (g/mol) | 179.644 |
| MDL Number | MFCD00190235 |
| SMILES | CN1CCC(CC1)C(=O)O.Cl |
| Synonym | 1-methylpiperidine-4-carboxylic acid hydrochloride,1-methyl-piperidine-4-carboxylic acid hydrochloride,1-methylpiperidine-4-carboxylic acid hcl,4-carboxy-1-methyl-piperidine hcl,1-methyl-4-piperidinecarboxylic acid hydrochloride,1-methyl-piperidine-4-carboxylic acid hcl,4-piperidinecarboxylic acid, 1-methyl-, hydrochloride,1-methylpiperidine-4-carboxylic acid, chloride,4-piperidinecarboxylicacid,1-methyl-,hydrochloride 1:1,pubchem8007 |
| IUPAC Name | 1-methylpiperidine-4-carboxylic acid;hydrochloride |
| InChI Key | NLUDEWJJEMHIIL-UHFFFAOYSA-N |
| Molecular Formula | C7H14ClNO2 |
1-Methyl-2-imidazolidinone, 98+%
CAS: 694-32-6 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.12 MDL Number: MFCD00800601 InChI Key: JTPZTKBRUCILQD-UHFFFAOYSA-N PubChem CID: 567600 IUPAC Name: 1-methylimidazolidin-2-one SMILES: CN1CCNC1=O
| PubChem CID | 567600 |
|---|---|
| CAS | 694-32-6 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00800601 |
| SMILES | CN1CCNC1=O |
| IUPAC Name | 1-methylimidazolidin-2-one |
| InChI Key | JTPZTKBRUCILQD-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
5-Amino-1-methylbenzimidazole, 97%
CAS: 10394-38-4 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD03164349 InChI Key: IWBGBYZGEQUDBT-UHFFFAOYSA-N Synonym: 1-methylbenzoimidazol-5-amine,1-methyl-1h-benzo d imidazol-5-amine,1-methyl-1h-benzimidazol-5-amine,1-methyl-1h-benzoimidazol-5-ylamine,1-methyl-1h-1,3-benzodiazol-5-amine,1-methyl-1,3-benzodiazol-5-amine,1-methyl-1h-benzimidazol-5-ylamine,1-methylbenzimidazole-5-ylamine,1-methyl-5-aminobenzimidazole,5-amino-1-methylbenzimidazole PubChem CID: 315499 IUPAC Name: 1-methyl-1H-1,3-benzodiazol-5-amine SMILES: CN1C=NC2=CC(N)=CC=C12
| PubChem CID | 315499 |
|---|---|
| CAS | 10394-38-4 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD03164349 |
| SMILES | CN1C=NC2=CC(N)=CC=C12 |
| Synonym | 1-methylbenzoimidazol-5-amine,1-methyl-1h-benzo d imidazol-5-amine,1-methyl-1h-benzimidazol-5-amine,1-methyl-1h-benzoimidazol-5-ylamine,1-methyl-1h-1,3-benzodiazol-5-amine,1-methyl-1,3-benzodiazol-5-amine,1-methyl-1h-benzimidazol-5-ylamine,1-methylbenzimidazole-5-ylamine,1-methyl-5-aminobenzimidazole,5-amino-1-methylbenzimidazole |
| IUPAC Name | 1-methyl-1H-1,3-benzodiazol-5-amine |
| InChI Key | IWBGBYZGEQUDBT-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3 |
Potassium tris(1-pyrazolyl)borohydride, 93%
CAS: 18583-60-3 Molecular Formula: C9H10BKN6 Molecular Weight (g/mol): 252.13 MDL Number: MFCD00040346 InChI Key: IBNGZWIUPDMZMG-UHFFFAOYSA-N Synonym: potassium hydrotris 1-pyrazolyl borate,potassium hydridotri 1h-pyrazol-1-yl borate 1-,potassium hydro-tris 1-pyrazolyl borate,potassium tri 1h-pyrazol-1-yl hydroborate,potassium tri 1-pyrazolyl borohydride,potassium hydrotris 1-pyrazolato borate, hydrate IUPAC Name: potassium tris(1H-pyrazol-1-yl)boranuide SMILES: [K+].C1=CN(N=C1)[BH-](N1C=CC=N1)N1C=CC=N1
| CAS | 18583-60-3 |
|---|---|
| Molecular Weight (g/mol) | 252.13 |
| MDL Number | MFCD00040346 |
| SMILES | [K+].C1=CN(N=C1)[BH-](N1C=CC=N1)N1C=CC=N1 |
| Synonym | potassium hydrotris 1-pyrazolyl borate,potassium hydridotri 1h-pyrazol-1-yl borate 1-,potassium hydro-tris 1-pyrazolyl borate,potassium tri 1h-pyrazol-1-yl hydroborate,potassium tri 1-pyrazolyl borohydride,potassium hydrotris 1-pyrazolato borate, hydrate |
| IUPAC Name | potassium tris(1H-pyrazol-1-yl)boranuide |
| InChI Key | IBNGZWIUPDMZMG-UHFFFAOYSA-N |
| Molecular Formula | C9H10BKN6 |
(-)-Strychnine, 98%
CAS: 57-24-9 Molecular Formula: C21H22N2O2 Molecular Weight (g/mol): 334.42 MDL Number: MFCD00005941 InChI Key: QMGVPVSNSZLJIA-FVWCLLPLSA-N Synonym: strychnine,strychnidin-10-one,--strychnine,strychnin,3h strychnine,unii-h9y79vd43j,sanaseed,estricnina,strychinos,strychnos PubChem CID: 441071 ChEBI: CHEBI:28973 IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one SMILES: O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C1=CC=CC=C61
| PubChem CID | 441071 |
|---|---|
| CAS | 57-24-9 |
| Molecular Weight (g/mol) | 334.42 |
| ChEBI | CHEBI:28973 |
| MDL Number | MFCD00005941 |
| SMILES | O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C1=CC=CC=C61 |
| Synonym | strychnine,strychnidin-10-one,--strychnine,strychnin,3h strychnine,unii-h9y79vd43j,sanaseed,estricnina,strychinos,strychnos |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| InChI Key | QMGVPVSNSZLJIA-FVWCLLPLSA-N |
| Molecular Formula | C21H22N2O2 |
6-Azabicyclo[3.2.0]heptan-7-one, 98%, Thermo Scientific™
CAS: 22031-52-3 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD01863277 InChI Key: AXDBIGNYXNSBHV-CRCLSJGQSA-N Synonym: 6-azabicyclo 3.2.0 heptan-7-one,6-azabicyclo 3,2,0 heptan-7-one,6-azabicyclo 3.2.0 heptane-7-one,6-azabicyclo 3.2.0 heptan-7-one # PubChem CID: 549320 IUPAC Name: 6-azabicyclo[3.2.0]heptan-7-one SMILES: O=C1N[C@@H]2CCC[C@H]12
| PubChem CID | 549320 |
|---|---|
| CAS | 22031-52-3 |
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01863277 |
| SMILES | O=C1N[C@@H]2CCC[C@H]12 |
| Synonym | 6-azabicyclo 3.2.0 heptan-7-one,6-azabicyclo 3,2,0 heptan-7-one,6-azabicyclo 3.2.0 heptane-7-one,6-azabicyclo 3.2.0 heptan-7-one # |
| IUPAC Name | 6-azabicyclo[3.2.0]heptan-7-one |
| InChI Key | AXDBIGNYXNSBHV-CRCLSJGQSA-N |
| Molecular Formula | C6H9NO |
Thermo Scientific Chemicals Pomalidomide
CAS: 19171-19-8 Molecular Formula: C13H11N3O4 Molecular Weight (g/mol): 273.25 MDL Number: MFCD12756407 InChI Key: UVSMNLNDYGZFPF-UHFFFAOYNA-N IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
| CAS | 19171-19-8 |
|---|---|
| Molecular Weight (g/mol) | 273.25 |
| MDL Number | MFCD12756407 |
| SMILES | NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O |
| IUPAC Name | 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | UVSMNLNDYGZFPF-UHFFFAOYNA-N |
| Molecular Formula | C13H11N3O4 |
Thermo Scientific Chemicals Sulbactam
CAS: 68373-14-8 Molecular Formula: C8H11NO5S Molecular Weight (g/mol): 233.24 InChI Key: FKENQMMABCRJMK-RITPCOANSA-N Synonym: sulbactam,sulbactam acid,penicillanic acid sulfone,sulbactamum,betamaze,2s,5r-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide,penicillanic acid 1,1-dioxide,unii-s4tf6i2330,penicillanic acid dioxide,chembl403 PubChem CID: 130313 ChEBI: CHEBI:9321 IUPAC Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
| PubChem CID | 130313 |
|---|---|
| CAS | 68373-14-8 |
| Molecular Weight (g/mol) | 233.24 |
| ChEBI | CHEBI:9321 |
| SMILES | CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |
| Synonym | sulbactam,sulbactam acid,penicillanic acid sulfone,sulbactamum,betamaze,2s,5r-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide,penicillanic acid 1,1-dioxide,unii-s4tf6i2330,penicillanic acid dioxide,chembl403 |
| IUPAC Name | (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChI Key | FKENQMMABCRJMK-RITPCOANSA-N |
| Molecular Formula | C8H11NO5S |
Brucine sulfate hydrate, 98% (dry wt.), water <13%
CAS: 652154-10-4 Molecular Formula: C46H54N4O12S Molecular Weight (g/mol): 887.01 MDL Number: MFCD00013472 InChI Key: HCMSIGALSOEZRW-MDQLRNFDSA-N Synonym: brucine sulfate salt PubChem CID: 118797651 IUPAC Name: 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;hydrate SMILES: OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1
| PubChem CID | 118797651 |
|---|---|
| CAS | 652154-10-4 |
| Molecular Weight (g/mol) | 887.01 |
| MDL Number | MFCD00013472 |
| SMILES | OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1 |
| Synonym | brucine sulfate salt |
| IUPAC Name | 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;hydrate |
| InChI Key | HCMSIGALSOEZRW-MDQLRNFDSA-N |
| Molecular Formula | C46H54N4O12S |