Primary Record
methylcobalamin
- In stock
- 3,543 g
- Purity
- 99.5 %
- CAS
- 13422-55-4
Compound Identifiers & Properties
- CAS
- 13422-55-4
- PubChem CID
- 156592268
- SMILES
- [CH3-].CC1CC2C(CC1C)N(C[N-]2)[C@@H]3C([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](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.[Co+3]
- Canonical SMILES
- C/C1=C2/[N-][C@@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2C(O)[C@@H](N3C[N-]C4CC(C)C(C)CC43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[CH3-].[Co+3]
Names & Synonyms
- methylcobalamin
- 13422-55-4