Chemical Compound

CHEMBL4456823

CAS Registry Number 1634639-66-9
CHEMBL4456823 chemical structure
Primary Record

CHEMBL4456823

In stock
3,641 g
Purity
99.4 %
CAS
1634639-66-9

Compound Identifiers & Properties

CAS
1634639-66-9
PubChem CID
71750900
SMILES
C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
Canonical SMILES
O=C(O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CCC3)[C@H]2O6)[C@H](O)[C@@H](O)[C@@H]1O

Names & Synonyms

  • CHEMBL4456823
  • Nalbuphine 6-O-?-D-Glucuronide
  • Nalbuphine 6-O-|A-D-Glucuronide
  • ZINC77311513
  • 1634639-66-9
  • (5|A,6|A)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol 6-O-|A-D-Glucuronide