Primary Record
8-Epicobalamine
- In stock
- 9,869 g
- Purity
- 99.4 %
- CAS
- 41325-63-7
Compound Identifiers & Properties
- CAS
- 41325-63-7
- PubChem CID
- 145994609
- SMILES
- CC1=CC2=C(C=C1C)[N+](=CN2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@H](/C(=C/C8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=N)[O-])/N7)CCC(=N)[O-])(C)CC(=O)N)/C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
- Canonical SMILES
- CC1=C2N=C(/C=C3\N/C(=C(/C)C4=N[C@@](C)(C5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=N)[O-])[C@@](C)(CC(N)=O)[C@H]3CCC(=N)[O-])C(C)(C)[C@@H]2CCC(=N)[O-].[C-]#N.[Co+3]
Names & Synonyms
- 8-Epicobalamine
- 8-epi-Cyanocobalamin
- Cyano-8-epicobalamin
- Cyanocobalamin Impurity H
- DB14092
- 41325-63-7
- cobalt(3+);3-[(1R,2S,3S,5Z,7S,8R,9Z,13S,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-17-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropyl]amino]-3-oxopropyl]-3,13-bis(3-imino-3-oxidopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanimidate;cyanide