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Substance Name: Vitamin B12 factor B
RN: 13963-62-7
InChIKey: CACQFZSAEXEWBL-UHFFFAOYSA-L

Note

  • Vitamin B12 without nucleotide moiety.

Molecular Weight

  • 1051.14
 
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Names and Synonyms

Name of Substance

  • Vitamin B12 factor B

Systematic Name

  • Cobinamide, cyanide hydroxide, monohydrate

Registry Numbers

CAS Registry Number

  • 13963-62-7

System Generated Number

  • 0013963627

Structure Descriptors

InChI

1S/C48H73N11O8.CN.Co.2H2O/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-2;;;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);;;2*1H2/q;-1;+3;;/p-2

InChIKey

CACQFZSAEXEWBL-UHFFFAOYSA-L

Smiles

[C-]#N.[Co+3].O.[OH-].C(N)(=O)CC[C@@H]1C(C)(C)C=2N=C1C(=C1[C@@]([C@@H](CC(N)=O)[C@@H]([N-]1)[C@@]1(N=C([C@@H]([C@@]1(CC(N)=O)C)CCC(N)=O)C(=C1N=C(C2)[C@@H](CCC(N)=O)[C@@]1(CC(N)=O)C)C)C)(CCC(=O)NC[C@@H](C)O)C)C