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Pregnenolone-[17alpha,21,21,21-d4]

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General Information
Catalog: BLP-009390
CAS: 61574-54-7
Molecular Formula: C21H28D4O2
Molecular Weight: 320.50

Chemical Structure

Description	Pregnenolone-[17alpha,21,21,21-d4] is a labelled version of Pregnenolone. Pregnenolone is an endogenous steroid hormone for inhibition of M1 receptor- and M3 receptor-mediated currents with IC50 of 11.4 μM and 6.0 μM, respectively.
Synonyms	(3β)-3-Hydroxy-pregn-5-en-20-one-d4; (3β)-3-Hydroxypregn-5-en-20-one-d4; 5-Pregnenolone-d4; Arthenolone-d4; Bina-Skin-d4; Enelone-d4; NSC 1616-d4; Pregnolon-d4; Prenolon-d4; Regnosone-d4; Skinostelon-d4
IUPAC Name	2,2,2-trideuterio-1-[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Related CAS	145-13-1 (unlabelled)
Canonical SMILES	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI	InChI=1S/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D
InChI Key	ORNBQBCIOKFOEO-QVFJSNPXSA-N
Melting Point	180-184°C
Solubility	Soluble in Chloroform, Ethanol, Methanol
Appearance	White to Off-white Solid