APALUTAMIDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15F4N5O2S
Molecular Weight	477.435
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of APALUTAMIDE

Structure Search

SMILES

CNC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F

InChI

InChIKey=HJBWBFZLDZWPHF-UHFFFAOYSA-N

InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

APALUTAMIDE

Official Name

English

APALUTAMIDE [ORANGE BOOK]

Common Name

English

4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDE

Systematic Name

English

Apalutamide [WHO-DD]

Common Name

English

ERLEADA

Brand Name

English

APALUTAMIDE [MI]

Common Name

English

apalutamide [INN]

Common Name

English

BENZAMIDE, 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)-3-PYRIDINYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-5-YL)-2-FLUORO-N-METHYL-

Systematic Name

English

JNJ-56021927

Code

English

APALUTAMIDE [JAN]

Common Name

English

ARN-509

Code

English

Classification Tree Code System Code

WHO-ATC

L02BB05

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

NCI_THESAURUS

C146993

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

Code System Code Type Description

DRUG BANK

DB11901

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

PUBCHEM

24872560

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

INN

10118

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

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DAILYMED

4T36H88UA7

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

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FDA UNII

4T36H88UA7

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

SMS_ID

100000174821

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

CAS

956104-40-8

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

EPA CompTox

DTXSID40241899

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

RXCUI

1999574

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

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WIKIPEDIA

Apalutamide

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

ChEMBL

CHEMBL3183409

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

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MERCK INDEX

m12063

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

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DRUG CENTRAL

5278

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

NCI_THESAURUS

C92574

Created by admin on Sat Dec 16 04:48:59 UTC 2023 , Edited by admin on Sat Dec 16 04:48:59 UTC 2023

PRIMARY

ACTIVE MOIETY


					4T36H88UA7

METABOLITE (PARENT)


					Y58Z86OCE2

4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUOROBENZOIC ACID

METABOLITE (PARENT)


					MV57FQG9XK

5-(8-(3-FLUORO-4-(METHYLCARBAMOYL)PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE

METABOLITE (PARENT)


					T3HF86RC8H

(2S,3S,4S,5R,6S)-6-(1-(4-CARBAMOYL-3-FLUORO-ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE (PARENT)


					WP3N26Z5H4

4-THIAZOLECARBOXYLIC ACID, 2-(5-(5-(3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO(3.4)OCT-7-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDINYL)-4,5-DIHYDRO-

METABOLITE (PARENT)


					T8AA7U442W

5-(8-(4-CARBAMOYL-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE

METABOLITE (PARENT)


					N2ZY54BZZ4

1-((3-FLUORO-4-((METHYLAMINO)CARBONYL)PHENYL)AMINO)CYCLOBUTANECARBOXYLIC ACID

METABOLITE (PARENT)


					HSE66JB9XZ

4-(6-(6-CARBAMOYL-5-(TRIFLUOROMETHYL)-3-PYRIDYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-8-YL)-2-FLUORO-BENZOIC ACID

METABOLITE (PARENT)


					M42AQ7Z6LP

4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-6,8-DIOXO-5,7-DIAZASPIRO(3.4)OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDE

METABOLITE (PARENT)


					964NQV5P9U

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

METABOLITE (PARENT)


					EZ479S6645

2-((2-(5-(8-(4-CARBAMOYL-3-FLUORO-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

METABOLITE (PARENT)


					GB8AZB2SW9

2-(5-(8-(4-CARBAMOYL-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

METABOLITE (PARENT)


					FEU4P4HER6

2-(5-(8-(4-CARBOXY-3-FLUORO-PHENYL)-5-OXO-7-THIOXO-6,8-DIAZASPIRO(3.4)OCTAN-6-YL)-3-(TRIFLUOROMETHYL)-2-PYRIDYL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

METABOLITE (PARENT)


					P338U3A8TB

(2S,3S,4S,5R,6S)-6-(1-(3-FLUORO-4-(METHYLCARBAMOYL)ANILINO)CYCLOBUTANECARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE ACTIVE (PARENT)


					13RV85F63R

N-DESMETHYLAPALUTAMIDE