AVE-6971

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H30N2O4S2
Molecular Weight	486.647
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H](O)CC[C@H]3CCN(CCSC4=CC=CS4)C[C@H]3C(O)=O

InChI

InChIKey=DSLCRNMTGWECHB-AMHTUMDSSA-N

InChI=1S/C25H30N2O4S2/c1-31-18-5-6-22-20(15-18)19(8-10-26-22)23(28)7-4-17-9-11-27(16-21(17)25(29)30)12-14-33-24-3-2-13-32-24/h2-3,5-6,8,10,13,15,17,21,23,28H,4,7,9,11-12,14,16H2,1H3,(H,29,30)/t17-,21+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H30N2O4S2
Molecular Weight	486.647
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 `Mon Mar 31 22:08:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:52 GMT 2025`
Record UNII	KA57IJ5E9Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVE-6971

Common Name

English

3-PIPERIDINECARBOXYLIC ACID, 4-((3R)-3-HYDROXY-3-(6-METHOXY-4-QUINOLINYL)PROPYL)-1-(2-(2-THIENYLTHIO)ETHYL)-, (3S,4S)-REL-

Preferred Name

English

Code System Code Type Description

FDA UNII

KA57IJ5E9Z

Created by admin on Mon Mar 31 22:08:52 GMT 2025 , Edited by admin on Mon Mar 31 22:08:52 GMT 2025

PRIMARY

CAS

333781-77-4

Created by admin on Mon Mar 31 22:08:52 GMT 2025 , Edited by admin on Mon Mar 31 22:08:52 GMT 2025

ALTERNATIVE

CAS

710944-85-7

Created by admin on Mon Mar 31 22:08:52 GMT 2025 , Edited by admin on Mon Mar 31 22:08:52 GMT 2025

PRIMARY

PUBCHEM

72941849

Created by admin on Mon Mar 31 22:08:52 GMT 2025 , Edited by admin on Mon Mar 31 22:08:52 GMT 2025

PRIMARY

Related Record Type Details


					KA57IJ5E9Z

AVE-6971

ACTIVE MOIETY