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Alphaxalone-[d5]

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General Information
Catalog: BLP-003272
CAS: 83014-68-0
Molecular Formula: C21H27D5O3
Molecular Weight: 337.51

Chemical Structure

Description	Alphaxalone-[d5] is a labelled Alphaxalone. Alphaxalone (alphaxalone or alphaxolone) sold under the brand name Alfaxan, is a neuroactive steroid and general anesthetic.
Synonyms	3α-Hydroxy-5α-pregnane-11,20-dione-d5; 3α-Hydroxy-5α-pregnane-11,20-dione-d5; 5α-Alphaxalone-d5; 5α-Pregnan-3α-ol-11,20-dione-d5; 5α-Pregnane-3α-ol-11,20-dione-d5; Alfadione-d5; Alfaxalone-d5; GR 2/234-d5
IUPAC Name	(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-5,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-one
Related CAS	23930-19-0 (unlabelled)
Canonical SMILES	CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C
InChI	InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1/i8D2,10D2,14D
InChI Key	DUHUCHOQIDJXAT-FXLSFZBWSA-N
Melting Point	169-172°C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White Solid