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Substance Name: Cobinamide
RN: 13497-85-3
UNII: HP8A6YZX4S
InChIKey: FEESAGIUMZGLMF-UHFFFAOYSA-M

Molecular Formula

  • C48-H72-Co-N11-O8

Molecular Weight

  • 990.0988
 
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Names and Synonyms

Name of Substance

  • Cobinamide

Synonyms

  • Cobinamide dihydrate
  • Diaquocobinamide
  • UNII-HP8A6YZX4S

Systematic Name

  • Cobinamide

Registry Numbers

CAS Registry Number

  • 13497-85-3

FDA UNII

  • HP8A6YZX4S

System Generated Number

  • 0013497853

Structure Descriptors

InChI

InChI=1S/C48H73N11O8.Co/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;/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);/q;+3/p-1

InChIKey

FEESAGIUMZGLMF-UHFFFAOYSA-M

Smiles

[Co+3].CC(O)CNC(=O)CCC1(C)C(CC(=O)N)C2N=C1\C(=C\3/N=C(\C=C\4/N=C(\C(=C\5/[N-]C2(C)C(C)(CC(=O)N)C5CCC(=O)N)\C)C(C)(CC(=O)N)C4CCC(=O)N)C(C)(C)C3CCC(=O)N)\C