Chemical Compound
Hydroxocobalamin acetate
CAS Registry Number
22465-48-1
Primary Record
Hydroxocobalamin acetate
- In stock
- 8,316 g
- Purity
- 99.8 %
- CAS
- 22465-48-1
Compound Identifiers & Properties
- CAS
- 22465-48-1
- PubChem CID
- 60196309
- 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]
- Canonical SMILES
- C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-][C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(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.CC(=O)O.[Co]
Names & Synonyms
- Hydroxocobalamin acetate
- DTXSID8046901
- DTXCID6026901
- Tox21_112786
- NCGC00181318-01
- CAS-22465-48-1
- 22465-48-1
- Cobalt(2+) acetate [1~2~R,1~3~S,1~4~S,1~5~(7)Z,2~2~R,2~3~R,2~4~R,3(4~2~)Z,4~3~S,5(6~2~)Z,6~3~S,6~4~S]-1~3~,2~3~,6~4~-tris(2-amino-2-oxoethyl)-1~4~,4~3~,6~3~-tris(3-amino-3-oxopropyl)-2~4~-{3-[(2-{[{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}propyl)amino]-3-oxopropyl}-1~2~,1~3~,2~4~,3,4~4~,4~4~,6~4~,7-octamethyl-2~3~,2~4~,4~3~,4~4~,6~3~,6~4~-hexahydro-2~2~H-1(2,5)-pyrrolidina-2,4,6(2,5)-tripyrrolacycloheptaphane-3,5,7-trien-1~1~-ide (1/1/1)