AGERAFENIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H22F3N5O5
Molecular Weight	517.4572
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AGERAFENIB

Structure Search

SMILES

COC1=CC2=C(C=C1OC)C(OC3=CC(NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F)=CC=C3)=NC=N2

InChI

InChIKey=DKNUPRMJNUQNHR-UHFFFAOYSA-N

InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)

HIDE SMILES / InChI

Molecular Formula	C24H22F3N5O5
Molecular Weight	517.4572
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 `Fri Dec 15 16:10:36 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:36 UTC 2023`
Record UNII	78I4VEX88N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AGERAFENIB

Official Name

English

RXDX-105

Code

English

RXDX 105 [WHO-DD]

Common Name

English

Agerafenib [WHO-DD]

Common Name

English

CEP-32496

Code

English

AB-024

Code

English

1-(3-((6,7-DIMETHOXYQUINAZOLIN-4-YL)OXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA

Systematic Name

English

UREA, N-(3-((6,7-DIMETHOXY-4-QUINAZOLINYL)OXY)PHENYL)-N'-(5-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-3-ISOXAZOLYL)-

Systematic Name

English

AC-013773

Code

English

agerafenib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C61074

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

Code System Code Type Description

SMS_ID

100000175112

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

INN

10367

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

PUBCHEM

56846693

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

ChEMBL

CHEMBL2029988

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

NCI_THESAURUS

C107245

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

EPA CompTox

DTXSID601025976

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

FDA UNII

78I4VEX88N

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

CAS

1188910-76-0

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

DRUG BANK

DB15068

Created by admin on Fri Dec 15 16:10:36 UTC 2023 , Edited by admin on Fri Dec 15 16:10:36 UTC 2023

PRIMARY

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