Chemical Compound

DTXSID801374038

CAS Registry Number 13422-52-1
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DTXSID801374038 chemical structure
Primary Record

DTXSID801374038

In stock
6,384 g
Purity
98.3 %
CAS
13422-52-1

Compound Identifiers & Properties

CAS
13422-52-1
PubChem CID
177843651
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH3+].[OH-].[Co+3]
Canonical SMILES
C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[Co+3].[OH-].[OH3+]

Names & Synonyms

  • DTXSID801374038
  • 13422-52-1
  • Cobinamide, Co-aqua-, dihydrogen phosphate (ester), inner salt, 3a(2)-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3), ion(1+), hydroxide (1:1)