BRIGATINIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H39ClN7O2P
Molecular Weight	584.092
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BRIGATINIB

Structure Search

SMILES

COC1=C(NC2=NC=C(Cl)C(NC3=C(C=CC=C3)P(C)(C)=O)=N2)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5

InChI

InChIKey=AILRADAXUVEEIR-UHFFFAOYSA-N

InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C29H39ClN7O2P
Molecular Weight	584.092
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:25:20 UTC 2023` Edited by `admin` on `Sat Dec 16 09:25:20 UTC 2023`
Record UNII	HYW8DB273J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BRIGATINIB

Official Name

English

BRIGATINIB [ORANGE BOOK]

Common Name

English

AP26113

Code

English

5-CHLORO-N4-(2-(DIMETHYLPHOSPHORYL)PHENYL)-N2-(2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1- YL)PIPERIDIN-1-YL)PHENYL)PYRIMIDINE-2,4-DIAMINE

Systematic Name

English

BRIGATINIB [USAN]

Common Name

English

Brigatinib [WHO-DD]

Common Name

English

(2-((5-CHLORO-2-((2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)PHENYL)DIMETHYL-,.DELTA.5-PHOSPHANONE

Systematic Name

English

2,4-PYRIMIDINEDIAMINE, 5-CHLORO-N4-(2-(DIMETHYLPHOSPHINYL)PHENYL)-N2-(2-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)-

Systematic Name

English

ALUNBRIG

Brand Name

English

AP-26113

Code

English

BRIGATINIB [MI]

Common Name

English

brigatinib [INN]

Common Name

English

BRIGATINIB [JAN]

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XE43

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

FDA ORPHAN DRUG

505415

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

NDF-RT

N0000175605

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

NCI_THESAURUS

C1967

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL3545311

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

CAS

1197953-54-0

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

DRUG CENTRAL

5233

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

LACTMED

Brigatinib

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

DAILYMED

HYW8DB273J

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

NCI_THESAURUS

C98831

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

FDA UNII

HYW8DB273J

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

DRUG BANK

DB12267

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

SMS_ID

100000170772

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

WIKIPEDIA

Brigatinib

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

EPA CompTox

DTXSID501027929

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

RXCUI

1921217

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

PUBCHEM

68165256

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

INN

10085

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

EVMPD

SUB184911

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

MERCK INDEX

m12099

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

USAN

BC-12

Created by admin on Sat Dec 16 09:25:21 UTC 2023 , Edited by admin on Sat Dec 16 09:25:21 UTC 2023

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Volume of Distribution