Chemical Compound

methylcobalamin

CAS Registry Number 13422-55-4
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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
10898559
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(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)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)([C@@H]5N=C1[C@](C)(CCC(=O)NCC(C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(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.[CH3-].[Co+3]

Names & Synonyms

  • methylcobalamin
  • Mecobalamin
  • Mecobalaminum
  • Mecobalamina
  • Mecobalamine
  • Methycobal
  • Cobametin
  • Vancomin
  • Algobaz
  • Cobaday
  • Cobamet
  • Methyl cobalamine
  • Methyl b12
  • Methyl-B12
  • Methyl vitamin B12
  • Cobalt-methylcobalamin
  • MBL-A
  • UNII-BR1SN1JS2W
  • Mecobalamine [INN-French]
  • Mecobalaminum [INN-Latin]
  • Mecobalamina [INN-Spanish]
  • C63H91CoN13O14P
  • 13422-55-4
  • MSK1589
  • HMS3886G09
  • Mecobalamin [USAN:BAN:INN:JAN]
  • Mecobalamin [USAN:INN:BAN:JAN]
  • EINECS 236-535-3
  • Methylcobalamin, vitamin B12 analog
  • AKOS015840090
  • Methyl-5,6-dimethylbenzimidazolylcobalamin
  • AC-2035
  • CCG-270675
  • C63-H91-N13-O14-P.Co
  • CID10898559
  • BC678749
  • CID 10898559
  • E0302
  • Carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate
  • carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
  • Methylcobalamin, United States Pharmacopeia (USP) Reference Standard
  • Cobinamide, Co-methyl deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole
  • Cobinamide, Co-methyl derivative, hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole