Pseudovitamin B12

CAS Registry Number®

13408-75-8

CAS Name

Pseudovitamin B12

Molecular Formula

C59H83CoN17O14P

Molecular Mass

1344.31

Cite this Page

Pseudovitamin B12.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13408-75-8 (retrieved 2025-06-19) (CAS RN: 13408-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H85N16O14P.CN.Co/c1-26(87-89(84,85)88-47-34(23-75)86-53(46(47)83)74-25-69-52-45(74)51(65)67-24-68-52)22-66-42(82)16-17-55(6)32(18-39(62)79)50-58(9)57(8,21-41(64)81)31(12-15-38(61)78)44(73-58)28(3)49-56(7,20-40(63)80)29(10-13-36(59)76)33(70-49)19-35-54(4,5)30(11-14-37(60)77)43(71-35)27(2)48(55)72-50;1-2;/h19,24-26,29-32,34,46-47,50,53,75,83H,10-18,20-23H2,1-9H3,(H17,59,60,61,62,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,84,85);;/q;-1;+3/p-2

InChIKey

InChIKey=WFCMYXSYLNJQLN-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=C(N)N=CN%10)OC8CO)=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5C(CCC(N)=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(=NC=NC65)N)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)N)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)-, dihydrogen phosphate (ester), inner salt, 3′-ester with (7-α-D-ribofuranosyl-7H-purin-6-amine-κN9)
  • Cobinamide, cyanide hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 7-α-D-ribofuranosyladenine
  • Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 7-α-D-ribofuranosyl-7H-purin-6-amine
  • Cobinamide, cyanide phosphate, 3′-ester with 7-α-D-ribofuranosyladenine, inner salt
  • β-Cobalamin

View All

Deleted or Replaced CAS Registry Numbers

9012-41-3

CAS INSIGHTSTM
Purple and red filaments produced by electrostatic discharge inside a plasma ball.