LIFIRAFENIB MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C25H17F3N4O3.3C4H4O4
Molecular Weight	1305.0619
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.[H][C@]12OC3=CC=C(OC4=CC=NC5=C4CCC(=O)N5)C=C3[C@@]1([H])[C@@H]2C6=NC7=C(N6)C=C(C=C7)C(F)(F)F.[H][C@]89OC%10=CC=C(OC%11=CC=NC%12=C%11CCC(=O)N%12)C=C%10[C@@]8([H])[C@@H]9C%13=NC%14=C(N%13)C=C(C=C%14)C(F)(F)F

InChI

InChIKey=CETNPISTLYWCDC-SWWFIDOGSA-N

InChI=1S/2C25H17F3N4O3.3C4H4O4/c2*26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23;3*5-3(6)1-2-4(7)8/h2*1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1-/t2*20-,21-,22-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	C25H17F3N4O3
Molecular Weight	478.4227
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:20:43 UTC 2023` Edited by `admin` on `Sat Dec 16 14:20:43 UTC 2023`
Record UNII	9VU33DC00T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LIFIRAFENIB MALEATE

Official Name

English

1,8-NAPHTHYRIDIN-2(1H)-ONE, 5-(((1R,1AS,6BR)-1A,6B-DIHYDRO-1-(6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL)-1H-CYCLOPROPA(B)BENZOFURAN-5-YL)OXY)-3,4-DIHYDRO-, (2Z)-2-BUTENEDIOATE (2:3)

Systematic Name

English

5-(((1R,1AS,6BR)-1-(5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL)-1A,6B-DIHYDRO-1H-CYCLOPROPA(B)(1)BENZOFURAN-5-YL)OXY)-3,4-DIHYDRO-1,8-NAPHTHYRIDIN-2(1H)-ONEMALEIC ACID (2:3)

Systematic Name

English

BGB-283 SESQUI-MALEATE

Code

English

LIFIRAFENIB MALEATE [USAN]

Common Name

English

LIFIRAFENIB SESQUIMALEATE

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C174591