Name: Abiraterone Acetate-[d4]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-003182

CAS: 2122245-63-8

Molecular Formula: C26H29D4NO2

Molecular Weight: 395.58

Chemical Structure

Description	Abiraterone Acetate-[d4] is a labelled form of Abiraterone Acetate, the acetate form of abiraterone, which blocks the synthesis of androgens by inhibiting CYP17A1. This compound is also useful in kinetic isotope effect studies as well as for use as an internal standard in NMR experiments.
Synonyms	(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-(pyridin-3-yl-d4)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate; Abiraterone Acetate D4; Androsta-5,16-dien-3-ol, 17-(3-pyridinyl-2,4,5,6-d4)-, 3-acetate, (3β)-; Abiraterone Acetate-d4; (3β)-17-(3-pyridinyl-d4)-androsta-5,16-dien-3-ol, acetate ester
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-yl] acetate
Related CAS	154229-18-2 (unlabelled)
Canonical SMILES	CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
InChI	InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1/i4D,5D,14D,16D
InChI Key	UVIQSJCZCSLXRZ-IYDYMXCUSA-N
Purity	>95%; ≥99% atom D
Solubility	Soluble in DMSO
Appearance	Solid Powder
Storage	Store at 2-8 °C