Chemical Compound

Cyano-8-epicobalamin

CAS Registry Number 41325-63-7
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Cyano-8-epicobalamin chemical structure
Primary Record

Cyano-8-epicobalamin

In stock
9,869 g
Purity
99.4 %
CAS
41325-63-7

Compound Identifiers & Properties

CAS
41325-63-7
PubChem CID
167996333
SMILES
CC1=CC2=C(C=C1C)[N+](=CN2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(/C(=C/C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=N)[O-])/N7)CCC(=N)[O-])(C)CC(=O)N)/C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
Canonical SMILES
C/C1=C2/N=C(/C=C3\N/C(=C(/C)C4=NC(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(=N)[O-])C(C)(CC(N)=O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[C-]#N.[Co+3]

Names & Synonyms

  • Cyano-8-epicobalamin
  • 41325-63-7