TARLOXOTINIB BROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H24BrClN9O3.Br
Molecular Weight	681.767
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].CN1C=NC(=C1C[N+](C)(C)C\C=C\C(=O)NC2=CC3=C(C=N2)N=CN=C3NC4=CC=C(Cl)C(Br)=C4)[N+]([O-])=O

InChI

InChIKey=WAKIMVYUBWMMHJ-FXRZFVDSSA-N

InChI=1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36);1H/b5-4+;

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C24H24BrClN9O3
Molecular Weight	601.863
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:34:50 UTC 2023` Edited by `admin` on `Fri Dec 15 17:34:50 UTC 2023`
Record UNII	3Y31FJ8K50
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TARLOXOTINIB BROMIDE

Official Name

English

tarloxotinib bromide [INN]

Systematic Name

English

Tarloxotinib bromide [WHO-DD]

Common Name

English

1H-IMIDAZOLE-5-METHANAMINIUM, N-((2E)-4-((4-((3-BROMO-4-CHLOROPHENYL)AMINO)PYRIDO(3,4-D)PYRIMIDIN-6-YL)AMINO)-4-OXO-2-BUTEN-1-YL)-N,N,1-TRIMETHYL-4-NITRO-, BROMIDE (1:1)

Systematic Name

English

(2E)-4-((4-(3-BROMO-4-CHLOROANILINO)PYRIDO(3,4-D)PYRIMIDIN-6-YL)AMINO)-N,N-DIMETHYL-N-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)METHYL)-4-OXOBUT-2-EN-1-AMINIUM BROMIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967