BOMEDEMSTAT TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H34FN7O2.2C7H8O3S
Molecular Weight	864.017
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.CN3CCN(CC3)C(=O)[C@H](CCCN[C@@H]4C[C@H]4C5=CC=C(F)C=C5)NC(=O)C6=CC=C(C=C6)N7C=CN=N7

InChI

InChIKey=WLRWBXFBIJMKHG-DVNXTAPYSA-N

InChI=1S/C28H34FN7O2.2C7H8O3S/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37);2*2-5H,1H3,(H,8,9,10)/t24-,25-,26+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C28H34FN7O2
Molecular Weight	519.6137
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:59:16 GMT 2023` Edited by `admin` on `Sat Dec 16 11:59:16 GMT 2023`
Record UNII	2PYF2U9JNF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOMEDEMSTAT TOSYLATE

Official Name

English

BENZAMIDE, N-((1S)-4-(((1R,2S)-2-(4-FLUOROPHENYL)CYCLOPROPYL)AMINO)-1-((4-METHYL-1-PIPERAZINYL)CARBONYL)BUTYL)-4-(1H-1,2,3-TRIAZOL-1-YL)-, 4-METHYLBENZENESULFONATE (1:2)

Systematic Name

English

BOMEDEMSTAT DITOSYLATE

Common Name

English

BOMEDEMSTAT TOSYLATE [USAN]

Common Name

English

IMG-7289 DITOSYLATE

Code

English

N-((2S)-5-(((1R,2S)-2-(4-FLUOROPHENYL)CYCLOPROPYL)AMINO)-1-(4-METHYLPIPERAZIN-1-YL)-1-OXOPENTAN-2-YL)-4-(1H-1,2,3-TRIAZOL-1-YL)BENZAMIDE, BIS-TOSYLATE SALT

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

553716