brexanolone (Zulresso) Report issue

Small molecule Approved FDA First in Class Priority Review FDA
AACT DrugBank PubChem

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Chemistry

Mol. Mass

318.5

ALogP

4.6

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
  • InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N
    InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL207538   ChEMBL
brexanolone *

S39XZ5QV8Y   NCATS
brexanolone *

Allopregnanolone   Wikipedia

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