U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34N2O7S
Molecular Weight 506.612
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAR-150640 FREE BASE

SMILES

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=WCPJDRQPTLGHOD-JBACZVJFSA-N
InChI=1S/C25H34N2O7S/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/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:26:06 GMT 2023
Edited
by admin
on Sat Dec 16 08:26:06 GMT 2023
Record UNII
4156EGA4J7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAR-150640 FREE BASE
Common Name English
ETHYL 4-(4-(((2S)-2-HYDROXY-3-(4-HYDROXY-3-((METHYLSULFONYL)AMINO)PHENOXY)PROPYL)AMINO)CYCLOHEXYL)BENZOATE
Systematic Name English
BENZOIC ACID, 4-(TRANS-4-(((2S)-2-HYDROXY-3-(4-HYDROXY-3-((METHYLSULFONYL)AMINO)PHENOXY)PROPYL)AMINO)CYCLOHEXYL)-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
4156EGA4J7
Created by admin on Sat Dec 16 08:26:06 GMT 2023 , Edited by admin on Sat Dec 16 08:26:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID3047390
Created by admin on Sat Dec 16 08:26:06 GMT 2023 , Edited by admin on Sat Dec 16 08:26:06 GMT 2023
PRIMARY
PUBCHEM
9957854
Created by admin on Sat Dec 16 08:26:06 GMT 2023 , Edited by admin on Sat Dec 16 08:26:06 GMT 2023
PRIMARY
CAS
433329-52-3
Created by admin on Sat Dec 16 08:26:06 GMT 2023 , Edited by admin on Sat Dec 16 08:26:06 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
433212-41-0
Created by admin on Sat Dec 16 08:26:06 GMT 2023 , Edited by admin on Sat Dec 16 08:26:06 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY