Products 516-54-1
CAS 516-54-1 appears in our catalog under these names: 5alpha-Pregnan-3a-ol-20-one, 1 g, Allopregnanolone, Brexanolone, (3a)-Allopregnanolone, >95% (HPLC), 5alpha-Pregnan-3a-ol-20-one. Offered by: Roth, Chemat Brand, Hubei YoungXin, TRC, GLPBio. Available pack sizes: 1g, on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg.
Brexanolone is a 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women. It has a role as an antidepressant, a sedative, an intravenous anaesthetic, a GABA modulator and a human metabolite.
Source: ChEBI
| Molecular formula | C21H34O2 |
|---|---|
| Molecular weight | 318.5 g/mol |
| IUPAC name | 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| InChIKey | AURFZBICLPNKBZ-SYBPFIFISA-N |
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
Computed by PubChem (NCBI)