Chemical Compound

methylcobalamin

CAS Registry Number 13422-55-4
methylcobalamin chemical structure
Primary Record

methylcobalamin

In stock
3,543 g
Purity
99.5 %
CAS
13422-55-4

Compound Identifiers & Properties

CAS
13422-55-4
PubChem CID
131724228
SMILES
[CH3-].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(=N6)C(=C7[C@@]([C@@H](C(=N7)C=C8C([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
CC1=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=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
  • Mecobalamin
  • MeCbl
  • Methyl vitamin B12
  • SCHEMBL29382079
  • ZFLASALABLFSNM-WYVZQNDMSA-L
  • FM25030
  • Methyl-5,6-dimethylbenzimidazolylcobalamin
  • 6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
  • 13422-55-4
  • N/A