Chemical Compound

Allopregnanolone(Brexanolone)

CAS Registry Number 516-54-1
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Allopregnanolone(Brexanolone) chemical structure
Primary Record

Allopregnanolone(Brexanolone)

In stock
8,441 g
Purity
99.7 %
CAS
516-54-1

Compound Identifiers & Properties

CAS
516-54-1
PubChem CID
138113550
SMILES
CC(=O)C1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@H]4[C@@]3(CCC(C4)O)C)C
Canonical SMILES
CC(=O)C1CC[C@@H]2[C@H]3CC[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C

Names & Synonyms

  • Allopregnanolone(Brexanolone)
  • 1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
  • 516-54-1