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Substance Name: Cobamamide [INN:JAN]
RN: 13870-90-1
UNII: F0R1QK73KB
InChIKey: ZIHHMGTYZOSFRC-VCABRDNDSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C72-H100-Co-N18-O17-P

Molecular Weight

  • 1579.6
 
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Names and Synonyms

Name of Substance

  • Cobamamide
  • Cobamamide [INN:JAN]

Synonyms

  • 5'-Deoxyadenosyl vitamin B12
  • 5,6-Dimethylbenzimidazolylcobamid coenzym
  • 5-Deoxyadenosylcobalamin
  • Adenosylcobalamin
  • BRN 4122932
  • Calomide
  • Cobalamine coenzyme
  • Cobamamida
  • Cobamamida [INN-Spanish]
  • Cobamamide
  • Cobamamidum
  • Cobamamidum [INN-Latin]
  • Coenzyme B12
  • DBC coenzyme
  • Deoxyadenosylcobalamin
  • Dibencozide
  • EINECS 237-627-6
  • Funacomide
  • LM 176
  • UNII-F0R1QK73KB
  • Vitamin B12 coenzyme

Systematic Names

  • Cobamamide
  • Cobinamide, O-(5'-deoxyadenosine-5') deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
  • Desoxy-5'-adenosine-5'alpha-(dimethyl-5,6-benzimidazolyl)cobamide
  • Inner salt of the Co-(5'-deoxyadenosine-5') derivative of the 3'-ester of cobinamide phosphate with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole

Registry Numbers

CAS Registry Number

  • 13870-90-1

FDA UNII

  • F0R1QK73KB

System Generated Number

  • 0013870901

Structure Descriptors

InChI

1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52?,53?,56?,57+,59-,60+,61+,62+;4?,6-,7-,10-;/m10./s1

InChIKey

ZIHHMGTYZOSFRC-VCABRDNDSA-L

Smiles

N12[C@@H]3[C@@]4([C@@]([C@H](CCC(N)=O)C(=N4)C(=C4[C@@]([C@H](CCC(N)=O)C(C=C5N=C(C(=C1[C@@](CCC(NC[C@@H](OP(O[C@@H]1[C@@H]([C@@H](N6C=[N]([Co+]2C[C@@H]2O[C@H](n7c8c(c(ncn8)N)nc7)[C@H]([C@H]2O)O)c2c6cc(C)c(c2)C)O[C@@H]1CO)O)(=O)[O-])C)=O)(C)[C@H]3CC(N)=O)C)[C@H](C5(C)C)CCC(N)=O)=N4)(CC(N)=O)C)C)(CC(N)=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.
guinea pig LD50 oral 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.
guinea pig LD50 subcutaneous 2gm/kg (2000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.
mouse LD50 intravenous 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.
mouse LD50 subcutaneous 2gm/kg (2000mg/kg)   Drugs in Japan Vol. -, Pg. 405, 1990.