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Substance Name: Hydroxocobalamin hydrochloride
RN: 78091-12-0
InChIKey: DGBWOGMXQYMLJW-URZFQKIUSA-M

Molecular Weight

  • 1382.83
 
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Names and Synonyms

Results Name

  • Hydroxocobalamin hydrochloride

Synonym

  • Hydroxocobalamin hydrochloride

Systematic Name

  • Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3), hydrochloride

Registry Numbers

CAS Registry Number

  • 78091-12-0

System Generated Number

  • 0078091120

Structure Descriptors

InChI

1S/C62H90N13O14P.ClH.Co.O/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;;;/h20-21,23,28,31,34-37,41,52-53,56-57,73,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1H;;/q;;+3;-1/p-1/b42-23-,54-32-,55-33-;;;

InChIKey

DGBWOGMXQYMLJW-URZFQKIUSA-M

Smiles

Cl.[Co+3][O-].C(N)(=O)C[C@@]1([C@@H](CCC(N)=O)C2=N[C@@]1(C)[C@@H]1NC([C@@]([C@@H]1CC(N)=O)(CCC(NC[C@@H](C)OP(O[C@@H]1[C@@H](CO)O[C@@H](n3cnc4c3cc(c(c4)C)C)[C@@H]1O)([O-])=O)=O)C)=C(C1=NC(=CC3=NC([C@@]([C@@H]3CCC(N)=O)(CC(N)=O)C)=C2C)C(C)([C@@H]1CCC(N)=O)C)C)C