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Details

Stereochemistry RACEMIC
Molecular Formula C26H22F4N6O5S2
Molecular Weight 638.614
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((2-(5-(8-(3-FLUORO-4-(METHYLCARBAMOYL)PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBONYL)AMINO)ACETIC ACID

SMILES

CNC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C5=NC(CS5)C(=O)NCC(O)=O)C(F)(F)F

InChI

InChIKey=MYBIJGLFHUQJKL-UHFFFAOYSA-N
InChI=1S/C26H22F4N6O5S2/c1-31-20(39)14-4-3-12(8-16(14)27)36-24(42)35(23(41)25(36)5-2-6-25)13-7-15(26(28,29)30)19(32-9-13)22-34-17(11-43-22)21(40)33-10-18(37)38/h3-4,7-9,17H,2,5-6,10-11H2,1H3,(H,31,39)(H,33,40)(H,37,38)

HIDE SMILES / InChI

Molecular Formula C26H22F4N6O5S2
Molecular Weight 638.614
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:32:20 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:20 GMT 2023
Record UNII
964NQV5P9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((2-(5-(8-(3-FLUORO-4-(METHYLCARBAMOYL)PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBONYL)AMINO)ACETIC ACID
Systematic Name English
APALUTAMIDE METABOLITE M10
Common Name English
Code System Code Type Description
PUBCHEM
156028066
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
CAS
2408596-36-9
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
FDA UNII
964NQV5P9U
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
TRACE
URINE