Vitamin B12-Co(II)

CAS Registry Number®

14463-33-3

CAS Name

Vitamin B12-Co(II)

Molecular Formula

C62H88CoN13O14P

Cite this Page

Vitamin B12-Co(II).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14463-33-3 (retrieved 2024-11-24) (CAS RN: 14463-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H90N13O14P.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);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56-,57+,59-,60+,61+,62+;/m1./s1

InChIKey

InChIKey=ASARMUCNOOHMLO-PGHAZYJLSA-L

SMILES

C[C@]12[N]=3[Co+2]456[N-]7[C@@]1([C@H](CC(N)=O)[C@](C)(C7=C(C)C8=[N]4C(=CC9=[N]5C(=C(C)C3[C@@H](CCC(N)=O)[C@@]2(CC(N)=O)C)[C@](CC(N)=O)(C)[C@@H]9CCC(N)=O)C(C)(C)[C@@H]8CCC(N)=O)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]%10C(O)([C@@H](N%11C=[N]6C=%12C%11=CC(C)=C(C)C%12)O[C@@H]%10CO)[H])[H]

Canonical SMILES

O=C(N)CCC1C=2C=C3[N]4=C(C(=C5[N-]6C7C(CC(=O)N)C5(C)CCC(=O)NCC(OP(=O)([O-])OC8C(O)C(OC8CO)N9C=[N](C=%10C=C(C(=CC%109)C)C)[Co+2]4%116[N]2C(=C(C%12=[N]%11C7(C)C(C)(CC(=O)N)C%12CCC(=O)N)C)C1(C)CC(=O)N)C)C)C(CCC(=O)N)C3(C)C

Other Names for this Substance

  • Vitamin B12-Co(II)
  • Vitamin B12r
  • BA 2723
  • Cobinamide-Co(1+), dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
  • 1H-Benzimidazole, 5,6-dimethyl-1-(3-O-phosphono-α-D-ribofuranosyl)-, monoester with cobinamide-Co(II), inner salt

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Deleted or Replaced CAS Registry Numbers

53762-94-0, 65459-61-2, 84605-70-9

CAS INSIGHTSTM
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