C64H92CoN13O16P2
1389.4 g/mol
APIWarning
Hydroxocobalamin (acetate)
CAS22465-48-1
Category
API
Compound Class
Organometallic
Primary Use
Pharmaceutical Raw Material
Hydroxocobalamin (acetate) is a pharmaceutical raw material, specifically a salt form of hydroxocobalamin, a natural form of vitamin B12. It is used as an active pharmaceutical ingredient in the manufacturing of pharmaceutical products.
Pharmaceutical raw materialActive pharmaceutical ingredient in manufacturing
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
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pharmaceutical raw material
Referencestereoisomer of
8-Epicobalamine
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pharmaceutical intermediate
Referencestereoisomer of
Hydroxocobalamin hydrochloride
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pharmaceutical raw material
Referencestereoisomer of
Hydroxocobalamin hydrochloride
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pharmaceutical raw material
Referencestereoisomer of
Cyanocobalamin
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pharmaceutical raw material
Safety Reference
Warning
H351Suspected of causing cancer
H373May cause damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
InChIKey
JEINOAHBVLNVDD-WYVZQNDMSA-L
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]
Synonyms (2)
- Hydroxocobalamin acetate, United States Pharmacopeia (USP)
- Hydroxocobalamin (acetate)
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