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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALFADOLONE

SMILES

[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=XWYBFXIUISNTQG-VKMGZQQJSA-N
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O4
Molecular Weight 348.4764
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Alfadolone or alphadolone is an oral neurosteroid, which can be useful as an analgesic.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
alphadolone (25-500 mg, n = 9) or placebo (lactose, n = 5) given orally 1 h after operation
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
OE1C96974E
Record Status Validated (UNII)
Record Version