Primary Record
Aquacobalamin
- In stock
- 8,968 g
- Purity
- 99.3 %
- CAS
- 58288-50-9
Compound Identifiers & Properties
- CAS
- 58288-50-9
- PubChem CID
- 146156971
- SMILES
- CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=N6)C(=C7[C@@](C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.Cl.[Co+2]
- Canonical SMILES
- CC1=C2[N-]C(C(CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])OC2C(CO)OC(n3cnc4cc(C)c(C)cc43)C2O)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1C(CCC(N)=O)C4(C)C)C(CCC(N)=O)[C@]3(C)CC(N)=O)C(CCC(N)=O)[C@]2(C)CC(N)=O.Cl.O.[Co+2]
Names & Synonyms
- Aquacobalamin
- Hydroxocobalamin hydrochloride
- Hydroxocobalamin (hydrochloride)
- 58288-50-9
- 13422-52-1