AVE-5997 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H29F3N4OS.CH4O3S
Molecular Weight	586.69
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC1=CC=C(NC(=O)NCCCCN2CCN(CC2)C3=CSC4=CC(=CC=C34)C(F)(F)F)C=C1

InChI

InChIKey=BNFWXTLSAZDOIG-UHFFFAOYSA-N

InChI=1S/C25H29F3N4OS.CH4O3S/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;1-5(2,3)4/h4-9,16-17H,2-3,10-15H2,1H3,(H2,29,30,33);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

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 `Fri Dec 15 15:54:06 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:06 UTC 2023`
Record UNII	UC62M6AM9B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVE-5997 MESYLATE

Code

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

UC62M6AM9B

Created by admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023

PRIMARY

PUBCHEM

131842229

Created by admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023

PRIMARY

CAS

452917-22-5

Created by admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023

PRIMARY

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