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Abiraterone-[d4]

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General Information
Catalog: BLP-003183
CAS: 2122245-62-7
Molecular Formula: C24H27NOD4
Molecular Weight: 353.54

Chemical Structure

Description	Abiraterone-[d4] is a labelled Abiraterone. Abiraterone is a steroidal CYP17A1 inhibitor with a therapeutic effect on androgen-dependent prostate cancer.
Synonyms	(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol-d4; CB 7598-d4
IUPAC Name	(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(2,4,5,6-tetradeuteriopyridin-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CAS	154229-19-3 (unlabelled)
Canonical SMILES	CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O
InChI	InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1/i3D,4D,13D,15D
InChI Key	GZOSMCIZMLWJML-UQHOXKPTSA-N
Melting Point	213-215°C (dec.)
Purity	> 95%
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid