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Chemical structure of Abiraterone-D4

GC63469

Abiraterone-D4

Also known as (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(2,4,5,6-tetradeuterio-3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Abiraterone-D4 (CB-7598-D4) is the deuterium labeled Abiraterone· Abiraterone is a potent and irreversible CYP17A1 inhibitor with antiandrogen activity, which inhibits both the 17α-hydroxylase and 17,20-lyase activity of the cytochrome p450 enzyme CYP17 with IC50s of 2·5 nM and 15 nM, respectively

ChemicalCAS2122245-62-7MW353.53FormulaC24H27D4NO
CAS number
2122245-62-7
Molecular weight
353.53
Formula
C24H27D4NO
InChIKey
GZOSMCIZMLWJML-UQHOXKPTSA-N
Catalogue number
GC63469
Brand
GLPBIO
Computed properties PubChem CID 71312697 · XLogP 4.6 · TPSA 33.1 Ų · H-bond donors 1
XLogP
4.6
TPSA
33.1 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
26

SMILES [2H]C1=C(C(=C(N=C1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)[2H]

Computed descriptors from PubChem (CID 71312697), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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