AVE-5997

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H29F3N4OS
Molecular Weight	490.584
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(NC(=O)NCCCCN2CCN(CC2)C3=CSC4=C3C=CC(=C4)C(F)(F)F)C=C1

InChI

InChIKey=XVFIYMFVLGFALY-UHFFFAOYSA-N

InChI=1S/C25H29F3N4OS/c1-18-4-7-20(8-5-18)30-24(33)29-10-2-3-11-31-12-14-32(15-13-31)22-17-34-23-16-19(25(26,27)28)6-9-21(22)23/h4-9,16-17H,2-3,10-15H2,1H3,(H2,29,30,33)

HIDE SMILES / InChI

Molecular Formula	C25H29F3N4OS
Molecular Weight	490.584
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 `Tue Apr 01 20:56:12 GMT 2025` Edited by `admin` on `Tue Apr 01 20:56:12 GMT 2025`
Record UNII	7E6G867INX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVE-5997

Common Name

English

1-P-TOLYL-3-(4-(4-(6-TRIFLUOROMETHYLBENZO(B)THIEN-3-YL)PIPERAZIN-1-YL)BUTYL)UREA

Preferred Name

English

UREA, N-(4-METHYLPHENYL)-N'-(4-(4-(6-(TRIFLUOROMETHYL)BENZO(B)THIEN-3-YL)-1-PIPERAZINYL)BUTYL)-

Systematic Name

English

Code System Code Type Description

CAS

452917-21-4

Created by admin on Tue Apr 01 20:56:12 GMT 2025 , Edited by admin on Tue Apr 01 20:56:12 GMT 2025

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FDA UNII

7E6G867INX

Created by admin on Tue Apr 01 20:56:12 GMT 2025 , Edited by admin on Tue Apr 01 20:56:12 GMT 2025

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PUBCHEM

9891761

Created by admin on Tue Apr 01 20:56:12 GMT 2025 , Edited by admin on Tue Apr 01 20:56:12 GMT 2025

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AVE-5997 MESYLATE

SALT/SOLVATE -> PARENT

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					7E6G867INX

AVE-5997

ACTIVE MOIETY