Chemical Compound

Cobinamide dihydrate

CAS Registry Number 13497-85-3
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Cobinamide dihydrate chemical structure
Primary Record

Cobinamide dihydrate

In stock
7,939 g
Purity
99.0 %
CAS
13497-85-3

Compound Identifiers & Properties

CAS
13497-85-3
PubChem CID
6913996
SMILES
C/C/1=C/2\[C@@]([C@@H](C(=CC3=NC(=C(C4=N[C@H]([C@@H]([C@@]4(C)CCC(=O)NC[C@@H](C)O)CC(=O)N)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)C)[C@H](C3(C)C)CCC(=O)N)N2)CCC(=O)N)(C)CC(=O)N
Canonical SMILES
CC1=C2N=C(C=C3N/C(=C(/C)C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)O)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O

Names & Synonyms

  • Cobinamide dihydrate
  • AC1OC94G
  • CID 192894
  • CID6913996
  • 13497-85-3
  • 3-[(1R,2S,3S,5Z,7S,8S,13S,17R,18R,19R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanamide