Organoheterocyclic compounds
Filtered Search Results
2-Methylimidazole, 97%
CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1
| PubChem CID | 12749 |
|---|---|
| CAS | 693-98-1 |
| Molecular Weight (g/mol) | 82.11 |
| MDL Number | MFCD00005190 |
| SMILES | CC1=NC=CN1 |
| Synonym | 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 |
| IUPAC Name | 2-methyl-1H-imidazole |
| InChI Key | LXBGSDVWAMZHDD-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
Benzo[b]thiophene-3-carboxylic acid, 96%
CAS: 5381-25-9 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 MDL Number: MFCD01846406 InChI Key: DRBLTQNCQJXSNU-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid PubChem CID: 601280 IUPAC Name: 1-benzothiophene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)O
| PubChem CID | 601280 |
|---|---|
| CAS | 5381-25-9 |
| Molecular Weight (g/mol) | 178.205 |
| MDL Number | MFCD01846406 |
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
| Synonym | benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid |
| IUPAC Name | 1-benzothiophene-3-carboxylic acid |
| InChI Key | DRBLTQNCQJXSNU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2S |
Linezolid, 98%
CAS: 165800-03-3 Molecular Formula: C16H20FN3O4 Molecular Weight (g/mol): 337.35 InChI Key: TYZROVQLWOKYKF-ZDUSSCGKSA-N Synonym: linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j PubChem CID: 441401 ChEBI: CHEBI:63607 IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
| PubChem CID | 441401 |
|---|---|
| CAS | 165800-03-3 |
| Molecular Weight (g/mol) | 337.35 |
| ChEBI | CHEBI:63607 |
| SMILES | CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F |
| Synonym | linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j |
| IUPAC Name | N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
| InChI Key | TYZROVQLWOKYKF-ZDUSSCGKSA-N |
| Molecular Formula | C16H20FN3O4 |
Thermo Scientific Chemicals 5-Fluorouracil, 99%
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton |
| IUPAC Name | 5-fluoro-1H-pyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
N-Hydroxysuccinimide, 98+%
CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.09 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O
| PubChem CID | 80170 |
|---|---|
| CAS | 6066-82-6 |
| Molecular Weight (g/mol) | 115.09 |
| MDL Number | MFCD00005516 |
| SMILES | C1CC(=O)N(C1=O)O |
| Synonym | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
| IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO3 |
Tris(2,2'-bipyridyl)ruthenium(II) chloride, hexahydrate, 98%
CAS: 50525-27-4 Molecular Formula: C30H36Cl2N6O6Ru Molecular Weight (g/mol): 748.62 MDL Number: MFCD00149670 InChI Key: WHELTKFSBJNBMQ-UHFFFAOYSA-L Synonym: tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate PubChem CID: 131664161 IUPAC Name: 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1
| PubChem CID | 131664161 |
|---|---|
| CAS | 50525-27-4 |
| Molecular Weight (g/mol) | 748.62 |
| MDL Number | MFCD00149670 |
| SMILES | O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1 |
| Synonym | tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate |
| IUPAC Name | 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate |
| InChI Key | WHELTKFSBJNBMQ-UHFFFAOYSA-L |
| Molecular Formula | C30H36Cl2N6O6Ru |
Citrinin, MP Biomedicals™
CAS: 518-75-2 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC Name: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
| PubChem CID | 54680783 |
|---|---|
| CAS | 518-75-2 |
| Molecular Weight (g/mol) | 250.25 |
| SMILES | CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
| Synonym | citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid |
| IUPAC Name | (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid |
| InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
| Molecular Formula | C13H14O5 |
N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium Tetrafluoroborate 98.0+%, TCI America™
CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
| PubChem CID | 9857522 |
|---|---|
| CAS | 105832-38-0 |
| Molecular Weight (g/mol) | 301.05 |
| MDL Number | MFCD00077875 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C |
| Synonym | tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 |
| IUPAC Name | [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide |
| InChI Key | YEBLHMRPZHNTEK-UHFFFAOYSA-N |
| Molecular Formula | C9H16BF4N3O3 |
Cyanuric chloride, 98%
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1
| PubChem CID | 7954 |
|---|---|
| CAS | 108-77-0 |
| Molecular Weight (g/mol) | 184.40 |
| ChEBI | CHEBI:58964 |
| MDL Number | MFCD00006046 |
| SMILES | ClC1=NC(Cl)=NC(Cl)=N1 |
| Synonym | cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine |
| InChI Key | MGNCLNQXLYJVJD-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3 |
2-Ethylimidazole, 99%
CAS: 1072-62-4 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005192 InChI Key: PQAMFDRRWURCFQ-UHFFFAOYSA-N Synonym: 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 PubChem CID: 66130 IUPAC Name: 2-ethyl-1H-imidazole SMILES: CCC1=NC=CN1
| PubChem CID | 66130 |
|---|---|
| CAS | 1072-62-4 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005192 |
| SMILES | CCC1=NC=CN1 |
| Synonym | 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 |
| IUPAC Name | 2-ethyl-1H-imidazole |
| InChI Key | PQAMFDRRWURCFQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
2-Chlorothioxanthone, 99%
CAS: 86-39-5 Molecular Formula: C13H7ClOS Molecular Weight (g/mol): 246.71 MDL Number: MFCD00005067 InChI Key: ZCDADJXRUCOCJE-UHFFFAOYSA-N Synonym: 2-chlorothioxanthone,2-chloro-9h-thioxanthen-9-one,9h-thioxanthen-9-one, 2-chloro,unii-rgs87t004b,2-chlorothiaxanthone,2-chlorothioxanthene-9-one,sandoray 1050,2-chloro-thioxanthone,pubchem10692,2-chloro-9-thioxanthone PubChem CID: 618848 IUPAC Name: 2-chloro-9H-thioxanthen-9-one SMILES: ClC1=CC=C2SC3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 618848 |
|---|---|
| CAS | 86-39-5 |
| Molecular Weight (g/mol) | 246.71 |
| MDL Number | MFCD00005067 |
| SMILES | ClC1=CC=C2SC3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-chlorothioxanthone,2-chloro-9h-thioxanthen-9-one,9h-thioxanthen-9-one, 2-chloro,unii-rgs87t004b,2-chlorothiaxanthone,2-chlorothioxanthene-9-one,sandoray 1050,2-chloro-thioxanthone,pubchem10692,2-chloro-9-thioxanthone |
| IUPAC Name | 2-chloro-9H-thioxanthen-9-one |
| InChI Key | ZCDADJXRUCOCJE-UHFFFAOYSA-N |
| Molecular Formula | C13H7ClOS |
Fluorescamine
CAS: 38183-12-9 Molecular Formula: C17H10O4 Molecular Weight (g/mol): 278.26 MDL Number: MFCD00005928 InChI Key: ZFKJVJIDPQDDFY-UHFFFAOYNA-N Synonym: fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion PubChem CID: 37927 SMILES: O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12
| PubChem CID | 37927 |
|---|---|
| CAS | 38183-12-9 |
| Molecular Weight (g/mol) | 278.26 |
| MDL Number | MFCD00005928 |
| SMILES | O=C1OC2(OC=C(C2=O)C2=CC=CC=C2)C2=CC=CC=C12 |
| Synonym | fluorescamine,fluram,spiro furan-2 3h ,1' 3'h-isobenzofuran-3,3'-dione, 4-phenyl,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dione,4-phenylspiro furan-2 3h ,1'-phthalan-3,3'-dione,4-phenylspiro furan-2 3h-1'-3'-h-isobenzofuran-3,3'-dione,zfkjvjidpqddfy-uhfffaoysa,4'-phenylspiro 2-benzofuran-3,2'-furan-1,3'-dion |
| InChI Key | ZFKJVJIDPQDDFY-UHFFFAOYNA-N |
| Molecular Formula | C17H10O4 |
5-Chloropyrimidine, 95%
CAS: 17180-94-8 Molecular Formula: C4H3ClN2 Molecular Weight (g/mol): 114.53 MDL Number: MFCD03840717 InChI Key: ZLNPDTOTEVIMMY-UHFFFAOYSA-N Synonym: pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci PubChem CID: 12600384 IUPAC Name: 5-chloropyrimidine SMILES: ClC1=CN=CN=C1
| PubChem CID | 12600384 |
|---|---|
| CAS | 17180-94-8 |
| Molecular Weight (g/mol) | 114.53 |
| MDL Number | MFCD03840717 |
| SMILES | ClC1=CN=CN=C1 |
| Synonym | pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci |
| IUPAC Name | 5-chloropyrimidine |
| InChI Key | ZLNPDTOTEVIMMY-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClN2 |
2-Bromopyridine, 99%
CAS: 109-04-6 Molecular Formula: C5H4BrN Molecular Weight (g/mol): 157.998 MDL Number: MFCD00006219 InChI Key: IMRWILPUOVGIMU-UHFFFAOYSA-N Synonym: o-bromopyridine,pyridine, 2-bromo,2-bromo-pyridine,2-pyridyl bromide,alpha-bromopyridine,beta-bromopyridine,bromopyridine,2-bromopyridin,2-bromo pyridine,unii-7z7mlc4vd8 PubChem CID: 7973 ChEBI: CHEBI:51574 IUPAC Name: 2-bromopyridine SMILES: C1=CC=NC(=C1)Br
| PubChem CID | 7973 |
|---|---|
| CAS | 109-04-6 |
| Molecular Weight (g/mol) | 157.998 |
| ChEBI | CHEBI:51574 |
| MDL Number | MFCD00006219 |
| SMILES | C1=CC=NC(=C1)Br |
| Synonym | o-bromopyridine,pyridine, 2-bromo,2-bromo-pyridine,2-pyridyl bromide,alpha-bromopyridine,beta-bromopyridine,bromopyridine,2-bromopyridin,2-bromo pyridine,unii-7z7mlc4vd8 |
| IUPAC Name | 2-bromopyridine |
| InChI Key | IMRWILPUOVGIMU-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN |
Vitamin B12, MP Biomedicals™
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
| PubChem CID | 129893524 |
|---|---|
| CAS | 68-19-9 |
| Molecular Weight (g/mol) | 1355.39 |
| MDL Number | MFCD00151092 |
| SMILES | [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O |
| Synonym | vitamin b12 |
| IUPAC Name | (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate |
| InChI Key | YUWVGNQGDAPKCX-BVWPOUIRNA-L |
| Molecular Formula | C63H88CoN14O14P |