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Pregnenolone-2,2,4,4-[d4]

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General Information
Catalog: BLP-001194
Molecular Formula: C21H28D4O2
Molecular Weight: 320.50

Chemical Structure

Description	Pregnenolone-2,2,4,4-[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.
IUPAC Name	1-[(3S,10R,13S,17S)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[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/i8D2,12D2
InChI Key	ORNBQBCIOKFOEO-JHAWGCOXSA-N
Purity	≥95% by CP; ≥98% atom D