Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)

CAS Registry Number®

38218-51-8

CAS Name

Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)

Molecular Formula

C64H90CoN14O14P

Cite this Page

Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38218-51-8 (retrieved 2024-11-22) (CAS RN: 38218-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C63H92N13O14P.CN.Co/c1-30-21-40-41(22-31(30)2)76(29-71-40)58-53(85)54(42(28-77)88-58)90-91(86,87)89-32(3)27-70-50(84)19-20-60(8)38(23-46(66)80)57-63(11)62(10,26-48(68)82)37(15-18-49(83)69-12)52(75-63)34(5)56-61(9,25-47(67)81)35(13-16-44(64)78)39(72-56)24-43-59(6,7)36(14-17-45(65)79)51(73-43)33(4)55(60)74-57;1-2;/h21-22,24,29,32,35-38,42,53-54,57-58,77,85H,13-20,23,25-28H2,1-12H3,(H14,64,65,66,67,68,69,70,72,73,74,75,78,79,80,81,82,83,84,86,87);;/q;-1;+3/p-2

InChIKey

InChIKey=KEKWPVDMQRYDLY-UHFFFAOYSA-L

SMILES

[C-](#N)[Co+3]1234[N]=5C6(C)C7[N-]1C(C(C)(C7CC(N)=O)CCC(=O)NCC(C)OP(=O)([O-])OC8C(O)C(N9C=[N]2C=%10C9=CC(C)=C(C)C%10)OC8CO)=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5C(CCC(NC)=O)C6(CC(N)=O)C)C(CC(N)=O)(C)C%12CCC(N)=O)C(C)(C)C%11CCC(N)=O

Canonical SMILES

N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)NC)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O

Other Names for this Substance

  • Cobinamide, Co-(cyano-κC)-Nb-methyl-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)
  • Cobinamide, Nb-methyl-, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole

CAS INSIGHTSTM
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