Primary Record
cyanocobalamin
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 168312343
- 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(=C7[C@@]([C@@H](C(=CC8=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=C3NC(=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
- cyanocobalamin