BICALUTAMIDE, (S)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H14F4N2O4S
Molecular Weight	430.373
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BICALUTAMIDE, (S)-

Structure Search

SMILES

C[C@@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChIKey=LKJPYSCBVHEWIU-QGZVFWFLSA-N

InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H14F4N2O4S
Molecular Weight	430.373
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:49:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:49:46 GMT 2025`
Record UNII	R8K39AN732
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-CASODEX

Preferred Name

English

BICALUTAMIDE, (S)-

Common Name

English

(+)-BICALUTAMIDE

Common Name

English

PROPANAMIDE, N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFONYL)-2-HYDROXY-2-METHYL-, (2S)-

Systematic Name

English

(S)-BICALUTAMIDE

Common Name

English

Code System Code Type Description

PUBCHEM

441405

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

FDA UNII

R8K39AN732

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

CAS

113299-38-0

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

SMS_ID

100000181054

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

CHEBI

144094

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

EPA CompTox

DTXSID70861120

Created by admin on Mon Mar 31 22:49:46 GMT 2025 , Edited by admin on Mon Mar 31 22:49:46 GMT 2025

PRIMARY

Related Record Type Details


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PARENT->INACTIVE ISOMER

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					T7BB6DL6RN

BICALUTAMIDE O-.BETA.-D-GLUCURONIDE, (S)-

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL; URINE