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Chemical structure of Abiraterone Acetate-d4

GC46775

Abiraterone Acetate-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-yl] acetate

A neuropeptide with diverse biological activities

ChemicalCAS2122245-63-8MW395.6FormulaC26H29D4NO2
CAS number
2122245-63-8
Molecular weight
395.6
Formula
C26H29D4NO2
Solubility
Methanol： Soluble
InChIKey
UVIQSJCZCSLXRZ-IYDYMXCUSA-N
Catalogue number
GC46775
Brand
GLPBIO
Computed properties PubChem CID 71312700 · XLogP 5.2 · TPSA 39.2 Ų · H-bond donors 0
XLogP
5.2
TPSA
39.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29

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)OC(=O)C)C)C)[2H]

Computed descriptors from PubChem (CID 71312700), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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