Primary Record
Mecobalamin
- In stock
- 3,543 g
- Purity
- 99.5 %
- CAS
- 13422-55-4
Compound Identifiers & Properties
- CAS
- 13422-55-4
- PubChem CID
- 60196341
- SMILES
- [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(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.[Co+3]
- Canonical SMILES
- C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[CH3-].[Co+3]
Names & Synonyms
- Mecobalamin
- methylcobalamin
- DTXSID5048631
- DTXCID8028557
- Tox21_112973
- AKOS037643327
- NCGC00188434-01
- AS-14092
- CAS-13422-55-4
- 13422-55-4
- Methylcobalt(2+) 5-(5,6-dimethyl-1H-1,3-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-(3-{[1~5~(7)Z,3(4~2~)Z,5(6~2~)Z]-1~3~,2~3~,4~3~-tris(2-amino-2-oxoethyl)-2~4~,4~4~,6~4~-tris(3-amino-3-oxopropyl)-1~4~,2~2~,2~3~,3,4~3~,6~3~,6~3~,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~-id-1~4~-yl}propanamido)propan-2-yl phosphate