SAR-150640

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H34N2O7S.ClH
Molecular Weight	543.073
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]2CC[C@@H](CC2)NC[C@H](O)COC3=CC=C(O)C(NS(C)(=O)=O)=C3

InChI

InChIKey=VEZDPEGPNPRTOH-PSLBYKFTSA-N

InChI=1S/C25H34N2O7S.ClH/c1-3-33-25(30)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26-15-21(28)16-34-22-12-13-24(29)23(14-22)27-35(2,31)32;/h4-7,12-14,18,20-21,26-29H,3,8-11,15-16H2,1-2H3;1H/t18-,20-,21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C25H34N2O7S
Molecular Weight	506.612
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 18:20:20 GMT 2023` Edited by `admin` on `Sat Dec 16 18:20:20 GMT 2023`
Record UNII	HR5458W684
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAR-150640

Code

English

BENZOIC ACID, 4-(TRANS-4-(((2S)-2-HYDROXY-3-(4-HYDROXY-3-((METHYLSULFONYL)AMINO)PHENOXY)PROPYL)AMINO)CYCLOHEXYL)-, ETHYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

ETHYL 4-((1R,4R)-4-(((2S)-2-HYDROXY-3-(4-HYDROXY-3-METHANESULFONAMIDOPHENOXY)PROPYL)AMINO)CYCLOHEXYL)BENZOATE HYDROCHLORIDE

Systematic Name

English

SAR150640

Code

English

Code System Code Type Description

EPA CompTox

DTXSID4047389

Created by admin on Sat Dec 16 18:20:20 GMT 2023 , Edited by admin on Sat Dec 16 18:20:20 GMT 2023

PRIMARY

PUBCHEM

16654936

Created by admin on Sat Dec 16 18:20:20 GMT 2023 , Edited by admin on Sat Dec 16 18:20:20 GMT 2023

PRIMARY

FDA UNII

HR5458W684

Created by admin on Sat Dec 16 18:20:20 GMT 2023 , Edited by admin on Sat Dec 16 18:20:20 GMT 2023

PRIMARY

CAS

433212-21-6

Created by admin on Sat Dec 16 18:20:20 GMT 2023 , Edited by admin on Sat Dec 16 18:20:20 GMT 2023

PRIMARY

Related Record Type Details


					4156EGA4J7

SAR-150640 FREE BASE

PARENT -> SALT/SOLVATE

Related Record Type Details


					4156EGA4J7

SAR-150640 FREE BASE

ACTIVE MOIETY