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Substance Name: Mecobalamin [USAN:INN:BAN:JAN]
RN: 13422-55-4
UNII: BR1SN1JS2W
InChIKey: ZFLASALABLFSNM-QBOHGLHMSA-L

Classification Codes

  • Reproductive Effect
  • Tumor Data
  • Vitamin (Hematopoietic)

Molecular Formulas

  • C63-H91-Co-N13-O14-P
  • C63-H91-N13-O14-P.Co

Molecular Weight

  • 1344.3959
 
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Names and Synonyms

Name of Substance

  • Mecobalamin
  • Mecobalamin [USAN:INN:BAN:JAN]
  • Methylcobalamin

Synonyms

  • Algobaz
  • Cobaday
  • Cobalt-methylcobalamin
  • Cobamet
  • Cobametin
  • E0302
  • EINECS 236-535-3
  • MBL-A
  • Mecobalamin
  • Mecobalamina
  • Mecobalamina [INN-Spanish]
  • Mecobalamine
  • Mecobalamine [INN-French]
  • Mecobalaminum
  • Mecobalaminum [INN-Latin]
  • Methycobal
  • Methyl b12
  • Methyl cobalamine
  • Methyl vitamin B12
  • Methyl-B12
  • Methylcobalamin
  • UNII-BR1SN1JS2W
  • Vancomin

Systematic Names

  • 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-ribofuranosylbenzimidazole
  • Cobinamide, cobalt-methyl derivative, hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
  • Mecobalamin

Registry Numbers

CAS Registry Number

  • 13422-55-4

FDA UNII

  • BR1SN1JS2W

Other Registry Numbers

  • 13870-88-7
  • 15417-95-5
  • 15550-62-6
  • 19709-17-2
  • 23319-80-4
  • 35-09-6

System Generated Number

  • 0013422554

Molecular Formulas

Molecular Formulas

  • C63-H91-Co-N13-O14-P
  • C63-H91-N13-O14-P.Co

Molecular Formula Fragments

  • C63-H91-N13-O14-P
  • Co
  • COMPONENT

Structure Descriptors

InChI

1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;;/m0../s1

InChIKey

ZFLASALABLFSNM-QBOHGLHMSA-L

Smiles

[CH3-].[Co+3].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2[N-]/C/1=C(/C)\C3=N\C(=C/C4=N\C(=C(\C)/C5=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)OP(=O)([O-])O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intravenous > 200mg/kg (200mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 3939, 1988.
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rabbit LD50 intravenous > 75mg/kg (75mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat LD50 oral > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.