Cobinic acid-abcdeg-hexamide

CAS Registry Number®

13497-85-3
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CAS Name

Cobinic acid-abcdeg-hexamide

Molecular Formula

C48H72CoN11O8

Cite this Page

Cobinic acid-abcdeg-hexamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13497-85-3 (retrieved 2024-04-24) (CAS RN: 13497-85-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1

InChIKey

InChIKey=FEESAGIUMZGLMF-JFYQDRLCSA-M

SMILES

C[C@]12[N]=3[Co+3]45[N-]6[C@@]1([C@H](CC(N)=O)[C@](CCC(NC[C@@H](C)O)=O)(C)C6=C(C)C7=[N]4C(=CC8=[N]5C(=C(C)C3[C@@H](CCC(N)=O)[C@@]2(CC(N)=O)C)[C@](CC(N)=O)(C)[C@@H]8CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O)[H]

Canonical SMILES

O=C(N)CCC1C=2C=C3[N]4=C(C(=C5[N-]6C(C(CC(=O)N)C5(C)CCC(=O)NCC(O)C)C7([N]8=C(C(=C([N]2[Co+3]486)C1(C)CC(=O)N)C)C(CCC(=O)N)C7(C)CC(=O)N)C)C)C(CCC(=O)N)C3(C)C

Other Names for this Substance

  • Cobinamide
  • Cobinic acid-abcdeg-hexamide
  • Cobyrinamide, Nf-(2-hydroxypropyl)-
  • Corphinamide
  • Cobalt(2+), [2,7,18-tris(2-amino-2-oxoethyl)-N17-(2-hydroxypropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,17-corrintetrapropanamidato(1-)-N21,N22,N23,N24]-

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Deleted or Replaced CAS Registry Numbers

409-08-5

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