Tivumecirnon besylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27Cl2F3N6O.C6H6O3S
Molecular Weight	701.587
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.C[C@@H](N2N=C(C3=NC=C(N=C23)N4CC(C4)[C@H]5CCCN(CCO)C5)C(F)(F)F)C6=CC=C(Cl)C=C6Cl

InChI

InChIKey=JOCBOZXZYGPMEU-LIOBNPLQSA-N

InChI=1S/C24H27Cl2F3N6O.C6H6O3S/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36;7-10(8,9)6-4-2-1-3-5-6/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3;1-5H,(H,7,8,9)/t14-,15+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Molecular Formula	C24H27Cl2F3N6O
Molecular Weight	543.412
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 23:15:10 GMT 2025` Edited by `admin` on `Tue Apr 01 23:15:10 GMT 2025`
Record UNII	EB8Q0V1D51
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tivumecirnon besylate

Official Name

English

FLX-475 besylate

Preferred Name

English

2-[(R)-3-(1-{1-[(R)-1-(2,4-Dichlorophenyl)ethyl]-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl}azetidin-3-yl)piperidin-1-yl]ethan-1-ol benzenesulfonate

Systematic Name

English

1-Piperidineethanol, 3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azetidinyl]-, (3R)-, compd. with benzenesulfonate (1:1)

Systematic Name

English

FLX475 besylate

Code

English

TIVUMECIRNON BESYLATE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C207006