Organoheterocyclic compounds
Filtered Search Results
2-Mercaptopyridine N-oxide, 99%
CAS: 1121-31-9 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00006196 InChI Key: YBBJKCMMCRQZMA-UHFFFAOYSA-N Synonym: pyrithione,2-mercaptopyridine n-oxide,2-mercaptopyridine-n-oxide,1-hydroxy-2-pyridinethione,omadine,2-pyridinethiol, 1-oxide,1-hydroxyl-1h-pyridine-2-thione,n-hydroxypyridine-2-thione,1-hydroxy-2 1h-pyridinethione,2-pyridinethiol 1-oxide PubChem CID: 1570 ChEBI: CHEBI:36578 IUPAC Name: 1-hydroxypyridine-2-thione SMILES: C1=CC(=S)N(C=C1)O
| PubChem CID | 1570 |
|---|---|
| CAS | 1121-31-9 |
| Molecular Weight (g/mol) | 127.161 |
| ChEBI | CHEBI:36578 |
| MDL Number | MFCD00006196 |
| SMILES | C1=CC(=S)N(C=C1)O |
| Synonym | pyrithione,2-mercaptopyridine n-oxide,2-mercaptopyridine-n-oxide,1-hydroxy-2-pyridinethione,omadine,2-pyridinethiol, 1-oxide,1-hydroxyl-1h-pyridine-2-thione,n-hydroxypyridine-2-thione,1-hydroxy-2 1h-pyridinethione,2-pyridinethiol 1-oxide |
| IUPAC Name | 1-hydroxypyridine-2-thione |
| InChI Key | YBBJKCMMCRQZMA-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
8-Dimethylamino-2,3-Benzophenoxazine Hemi (Zinc Chloride) Salt, MP Biomedicals™
CAS: 7057-57-0 Molecular Formula: C18H15ClN2O Molecular Weight (g/mol): 310.781 InChI Key: HWYNRVXFYFQSID-UHFFFAOYSA-M Synonym: basic blue 6,meldola's blue,phenylene blue,unii-cp2st8ed1o,c.i. basic blue 6,cp2st8ed1o,9-dimethylamino benzo a phenoxazin-7-ium chloride,benzo a phenoxazin-7-ium, 9-dimethylamino-, chloride,8-dimethylamino-2,3-benzophenoxazine hemi zinc chloride salt,n,n-dimethyl-10-oxa-5-azatetraphen-8-iminium chloride PubChem CID: 101929 IUPAC Name: benzo[a]phenoxazin-9-ylidene(dimethyl)azanium;chloride SMILES: C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]
| PubChem CID | 101929 |
|---|---|
| CAS | 7057-57-0 |
| Molecular Weight (g/mol) | 310.781 |
| SMILES | C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-] |
| Synonym | basic blue 6,meldola's blue,phenylene blue,unii-cp2st8ed1o,c.i. basic blue 6,cp2st8ed1o,9-dimethylamino benzo a phenoxazin-7-ium chloride,benzo a phenoxazin-7-ium, 9-dimethylamino-, chloride,8-dimethylamino-2,3-benzophenoxazine hemi zinc chloride salt,n,n-dimethyl-10-oxa-5-azatetraphen-8-iminium chloride |
| IUPAC Name | benzo[a]phenoxazin-9-ylidene(dimethyl)azanium;chloride |
| InChI Key | HWYNRVXFYFQSID-UHFFFAOYSA-M |
| Molecular Formula | C18H15ClN2O |
2-Vinylpyrazine, 98%, stab. with ca 0.1% hydroquinone
CAS: 4177-16-6 Molecular Formula: C6H6N2 Molecular Weight (g/mol): 106.13 MDL Number: MFCD00051591 InChI Key: KANZWHBYRHQMKZ-UHFFFAOYSA-N Synonym: 2-vinylpyrazine,vinylpyrazine,pyrazine, ethenyl,pyrazine, vinyl,2-vinyl pyrazine,unii-y6tpk237o6,ethenylpyrazine,vinyl pyrazine,2ethenylpyrazine,acmc-20anmb PubChem CID: 77840 IUPAC Name: 2-ethenylpyrazine SMILES: C=CC1=CN=CC=N1
| PubChem CID | 77840 |
|---|---|
| CAS | 4177-16-6 |
| Molecular Weight (g/mol) | 106.13 |
| MDL Number | MFCD00051591 |
| SMILES | C=CC1=CN=CC=N1 |
| Synonym | 2-vinylpyrazine,vinylpyrazine,pyrazine, ethenyl,pyrazine, vinyl,2-vinyl pyrazine,unii-y6tpk237o6,ethenylpyrazine,vinyl pyrazine,2ethenylpyrazine,acmc-20anmb |
| IUPAC Name | 2-ethenylpyrazine |
| InChI Key | KANZWHBYRHQMKZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2 |
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
| 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 |
2-Amino-4-(1-naphthyl)thiazole, 97%
CAS: 56503-96-9 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.30 MDL Number: MFCD00236016 InChI Key: NBQUWOCIFFHZTM-UHFFFAOYSA-N Synonym: 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole PubChem CID: 151342 IUPAC Name: 4-naphthalen-1-yl-1,3-thiazol-2-amine SMILES: NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 151342 |
|---|---|
| CAS | 56503-96-9 |
| Molecular Weight (g/mol) | 226.30 |
| MDL Number | MFCD00236016 |
| SMILES | NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1 |
| Synonym | 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole |
| IUPAC Name | 4-naphthalen-1-yl-1,3-thiazol-2-amine |
| InChI Key | NBQUWOCIFFHZTM-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2S |
Nipecotic acid, 98%
CAS: 498-95-3 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00005992 MFCD01630787 InChI Key: XJLSEXAGTJCILF-UHFFFAOYSA-N Synonym: nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine PubChem CID: 4498 ChEBI: CHEBI:116931 IUPAC Name: piperidine-3-carboxylic acid SMILES: OC(=O)C1CCCNC1
| PubChem CID | 4498 |
|---|---|
| CAS | 498-95-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:116931 |
| MDL Number | MFCD00005992 MFCD01630787 |
| SMILES | OC(=O)C1CCCNC1 |
| Synonym | nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine |
| IUPAC Name | piperidine-3-carboxylic acid |
| InChI Key | XJLSEXAGTJCILF-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
1,4-Diethylpiperazine, 98%
CAS: 6483-50-7 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.246 MDL Number: MFCD00126900 InChI Key: DDPRYTUJYNYJKV-UHFFFAOYSA-N PubChem CID: 80973 IUPAC Name: 1,4-diethylpiperazine SMILES: CCN1CCN(CC1)CC
| PubChem CID | 80973 |
|---|---|
| CAS | 6483-50-7 |
| Molecular Weight (g/mol) | 142.246 |
| MDL Number | MFCD00126900 |
| SMILES | CCN1CCN(CC1)CC |
| IUPAC Name | 1,4-diethylpiperazine |
| InChI Key | DDPRYTUJYNYJKV-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
2-Phenylindole, 95%
CAS: 948-65-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00005608 InChI Key: KLLLJCACIRKBDT-UHFFFAOYSA-N Synonym: 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1 PubChem CID: 13698 IUPAC Name: 2-phenyl-1H-indole SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
| PubChem CID | 13698 |
|---|---|
| CAS | 948-65-2 |
| Molecular Weight (g/mol) | 193.249 |
| MDL Number | MFCD00005608 |
| SMILES | C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2 |
| Synonym | 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1 |
| IUPAC Name | 2-phenyl-1H-indole |
| InChI Key | KLLLJCACIRKBDT-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, 97+%
CAS: 23286-70-6 Molecular Formula: C7H11N3O2 Molecular Weight (g/mol): 169.184 MDL Number: MFCD01210846 InChI Key: WOCMIZZYXHVSPS-UHFFFAOYSA-N Synonym: ethyl 5-amino-3-methyl-1h-pyrazole-4-carboxylate,5-amino-3-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-3-methylpyrazole-4-carboxylate,ethyl 3-amino-5-methyl-2h-pyrazole-4-carboxylate,acmc-1co96,5-amino-3-methyl-1h-pyrazole-4-carboxylicacidethylester,ethyl 3-amino-5-methylpyrazole-4-carboxylate,3-amino-5-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-methyl-5-amino-1h-pyrazole-4-carboxylic acid ethyl ester,pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester PubChem CID: 683559 IUPAC Name: ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(NN=C1N)C
| PubChem CID | 683559 |
|---|---|
| CAS | 23286-70-6 |
| Molecular Weight (g/mol) | 169.184 |
| MDL Number | MFCD01210846 |
| SMILES | CCOC(=O)C1=C(NN=C1N)C |
| Synonym | ethyl 5-amino-3-methyl-1h-pyrazole-4-carboxylate,5-amino-3-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-3-methylpyrazole-4-carboxylate,ethyl 3-amino-5-methyl-2h-pyrazole-4-carboxylate,acmc-1co96,5-amino-3-methyl-1h-pyrazole-4-carboxylicacidethylester,ethyl 3-amino-5-methylpyrazole-4-carboxylate,3-amino-5-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-methyl-5-amino-1h-pyrazole-4-carboxylic acid ethyl ester,pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester |
| IUPAC Name | ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate |
| InChI Key | WOCMIZZYXHVSPS-UHFFFAOYSA-N |
| Molecular Formula | C7H11N3O2 |
6-Methyl-2-pyridinemethanol, 98%
CAS: 1122-71-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00023520 InChI Key: JLVBSBMJQUMAMW-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinemethanol,6-methylpyridin-2-yl methanol,2-pyridinemethanol, 6-methyl,6-methyl-2-pyridylmethanol,6-methylpyridine-2-methanol,2-hydroxymethyl-6-methylpyridine,6-methyl-2-pyridyl methan-1-ol,pubchem20959,acmc-2099dw,6-methyl-2-pyridylcarbinol PubChem CID: 70736 IUPAC Name: (6-methylpyridin-2-yl)methanol SMILES: CC1=CC=CC(CO)=N1
| PubChem CID | 70736 |
|---|---|
| CAS | 1122-71-0 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00023520 |
| SMILES | CC1=CC=CC(CO)=N1 |
| Synonym | 6-methyl-2-pyridinemethanol,6-methylpyridin-2-yl methanol,2-pyridinemethanol, 6-methyl,6-methyl-2-pyridylmethanol,6-methylpyridine-2-methanol,2-hydroxymethyl-6-methylpyridine,6-methyl-2-pyridyl methan-1-ol,pubchem20959,acmc-2099dw,6-methyl-2-pyridylcarbinol |
| IUPAC Name | (6-methylpyridin-2-yl)methanol |
| InChI Key | JLVBSBMJQUMAMW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
1-Methylisoquinoline, 97%
CAS: 1721-93-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006902 InChI Key: PBYMYAJONQZORL-UHFFFAOYSA-N Synonym: isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 PubChem CID: 15592 IUPAC Name: 1-methylisoquinoline SMILES: CC1=NC=CC2=CC=CC=C12
| PubChem CID | 15592 |
|---|---|
| CAS | 1721-93-3 |
| Molecular Weight (g/mol) | 143.189 |
| MDL Number | MFCD00006902 |
| SMILES | CC1=NC=CC2=CC=CC=C12 |
| Synonym | isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 |
| IUPAC Name | 1-methylisoquinoline |
| InChI Key | PBYMYAJONQZORL-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
1-n-Butyl-3-methylimidazolium bromide, 99%
CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
| PubChem CID | 2734236 |
|---|---|
| CAS | 85100-77-2 |
| Molecular Weight (g/mol) | 219.126 |
| MDL Number | MFCD03427611 |
| SMILES | CCCCN1C=C[N+](=C1)C.[Br-] |
| Synonym | 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;bromide |
| InChI Key | KYCQOKLOSUBEJK-UHFFFAOYSA-M |
| Molecular Formula | C8H15BrN2 |
3-Cyanopyridine-4-boronic acid pinacol ester, 95%
CAS: 878194-92-4 Molecular Formula: C12H15BN2O2 Molecular Weight (g/mol): 230.074 MDL Number: MFCD09037481 InChI Key: LUDBQHAQFBWGNI-UHFFFAOYSA-N Synonym: 3-cyanopyridine-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nicotinonitrile,3-cyano-4-pyridineboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carbonitrile,3-cyanopyridin-4-ylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carbonitrile,3-cyano-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3-pyridinecarbonitrile, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinecarbonitrile,3-cyanopyridine-4-boronicacidpinacolester PubChem CID: 44755176 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C#N
| PubChem CID | 44755176 |
|---|---|
| CAS | 878194-92-4 |
| Molecular Weight (g/mol) | 230.074 |
| MDL Number | MFCD09037481 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C#N |
| Synonym | 3-cyanopyridine-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nicotinonitrile,3-cyano-4-pyridineboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carbonitrile,3-cyanopyridin-4-ylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carbonitrile,3-cyano-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3-pyridinecarbonitrile, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinecarbonitrile,3-cyanopyridine-4-boronicacidpinacolester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
| InChI Key | LUDBQHAQFBWGNI-UHFFFAOYSA-N |
| Molecular Formula | C12H15BN2O2 |
BOC-2-piperidylmethanol, 97%, Thermo Scientific™
CAS: 157634-00-9 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 InChI Key: PZTAGFCBNDBBFZ-UHFFFAOYSA-N Synonym: n-boc-piperidine-2-methanol,tert-butyl 2-hydroxymethyl piperidine-1-carboxylate,1-boc-2-piperidinemethanol,n-boc-2-piperidinemethanol,2-hydroxymethyl-1-n-boc-piperidine,1-boc-2-hydroxymethyl-piperidine,boc-2-piperidylmethanol,1-boc-2-hydroxymethylpiperidine,n-boc-2-hydroxymethyl piperidine,2-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 2763853 IUPAC Name: tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCCC1CO
| PubChem CID | 2763853 |
|---|---|
| CAS | 157634-00-9 |
| Molecular Weight (g/mol) | 215.29 |
| SMILES | CC(C)(C)OC(=O)N1CCCCC1CO |
| Synonym | n-boc-piperidine-2-methanol,tert-butyl 2-hydroxymethyl piperidine-1-carboxylate,1-boc-2-piperidinemethanol,n-boc-2-piperidinemethanol,2-hydroxymethyl-1-n-boc-piperidine,1-boc-2-hydroxymethyl-piperidine,boc-2-piperidylmethanol,1-boc-2-hydroxymethylpiperidine,n-boc-2-hydroxymethyl piperidine,2-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | PZTAGFCBNDBBFZ-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
Brucine, 99%, anhydrous
CAS: 357-57-3 Molecular Formula: C23H26N2O4 Molecular Weight (g/mol): 394.46 MDL Number: MFCD00005942 InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N Synonym: brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy PubChem CID: 51413923 IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-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 SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
| PubChem CID | 51413923 |
|---|---|
| CAS | 357-57-3 |
| Molecular Weight (g/mol) | 394.46 |
| MDL Number | MFCD00005942 |
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| Synonym | brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aR,15bS)-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 |
| InChI Key | RRKTZKIUPZVBMF-VLTSECPOSA-N |
| Molecular Formula | C23H26N2O4 |