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Chemical structure of δ4-Abiraterone

GC45239

δ4-Abiraterone

Also known as (8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

δ4-Abiraterone is a major metabolite of abiraterone· δ4-Abiraterone is an inhibitor of CYP17A1, 3b-hydroxysteroid dehydrogenase (3βHSD) and steroid-5a-reductase (SRD5A) and also an antagonist of androgen receptor

ChemicalCAS154229-21-7MW347.5FormulaC24H29NO
CAS number
154229-21-7
Molecular weight
347.5
Formula
C24H29NO
Solubility
DMSO: 10 mg/ml
InChIKey
GYJZZAJJENTSTP-NHFPKVKZSA-N
Catalogue number
GC45239
Brand
GLPBIO
Computed properties PubChem CID 196941 · XLogP 4.6 · TPSA 30 Ų · H-bond donors 0
XLogP
4.6
TPSA
30 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
26

SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C

Computed descriptors from PubChem (CID 196941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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