Cobinamide, Co-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, stereoisomer

CAS Registry Number®

140224-22-2

CAS Name

Cobinamide, Co-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, stereoisomer

Molecular Formula

C63H91CoN13O14P

Cite this Page

Cobinamide, Co-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, stereoisomer.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140224-22-2 (retrieved 2024-11-23) (CAS RN: 140224-22-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/q;-1;+3/p-2

InChIKey

InChIKey=ZFLASALABLFSNM-UHFFFAOYSA-L

SMILES

[CH3-][Co+3]123[N]=4C5(C)C6[N-]1C(C(CCC(NCC(OP(OC7C(CO)OC(C7O)N8C=9C(N=C8)=CC(C)=C(C)C9)(=O)[O-])C)=O)(C)C6CC(N)=O)=C(C)C%10=[N]2C(=CC%11=[N]3C(=C(C)C4C(CCC(N)=O)C5(CC(N)=O)C)C(CC(N)=O)(C)C%11CCC(N)=O)C(C)(C)C%10CCC(N)=O

Canonical SMILES

O=C(N)CCC1C=2C=C3[N]4=C(C(=C5[N-]6C(C(CC(=O)N)C5(C)CCC(=O)NCC(OP(=O)([O-])OC7C(O)C(OC7CO)N8C=NC=9C=C(C(=CC98)C)C)C)C%10([N]%11=C(C(=C([N]2[Co+3]4%116[CH3-])C1(C)CC(=O)N)C)C(CCC(=O)N)C%10(C)CC(=O)N)C)C)C(CCC(=O)N)C3(C)C

Other Names for this Substance

  • Cobinamide, Co-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, stereoisomer
  • Cobinamide, Co-methyl deriv., dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole, stereoisomer

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