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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H49NO2
Molecular Weight 503.7584
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABIRATERONE DECANOATE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@H](CC[C@]45C)OC(=O)CCCCCCCCC

InChI

InChIKey=XPCSGTPPHYORKJ-YHXMLEJGSA-N
InChI=1S/C34H49NO2/c1-4-5-6-7-8-9-10-13-32(36)37-27-18-20-33(2)26(23-27)14-15-28-30-17-16-29(25-12-11-22-35-24-25)34(30,3)21-19-31(28)33/h11-12,14,16,22,24,27-28,30-31H,4-10,13,15,17-21,23H2,1-3H3/t27-,28-,30-,31-,33-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H49NO2
Molecular Weight 503.7584
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:38:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:56 GMT 2023
Record UNII
U6XMS339F5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABIRATERONE DECANOATE
Common Name English
PRL-02
Code English
Code System Code Type Description
CAS
2486052-18-8
Created by admin on Sat Dec 16 18:38:56 GMT 2023 , Edited by admin on Sat Dec 16 18:38:56 GMT 2023
PRIMARY
NCI_THESAURUS
C184796
Created by admin on Sat Dec 16 18:38:56 GMT 2023 , Edited by admin on Sat Dec 16 18:38:56 GMT 2023
PRIMARY
FDA UNII
U6XMS339F5
Created by admin on Sat Dec 16 18:38:56 GMT 2023 , Edited by admin on Sat Dec 16 18:38:56 GMT 2023
PRIMARY
PUBCHEM
155105032
Created by admin on Sat Dec 16 18:38:56 GMT 2023 , Edited by admin on Sat Dec 16 18:38:56 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG