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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H33NO4S
Molecular Weight 431.588
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CT-1812

SMILES

CC(C)(C)OC1=CC(CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(C)(=O)=O)=CC=C1O

InChI

InChIKey=ISQAPFMBJFZOLG-UHFFFAOYSA-N
InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3

HIDE SMILES / InChI

Approval Year

Name Type Language
CT-1812
Code English
2-TERT-BUTOXY-4-(3-(5-METHANESULFONYL-1-1,3-DIHYDRO-ISOINDOL-1-YL)-3-METHYL-BUTYL)-PHENOL
Systematic Name English
2-(TERT-BUTOXY)-4-(3-METHYL-3-(5-(METHYLSULFONYL)ISOINDOLIN-2-YL)BUTYL)PHENOL
Systematic Name English
Code System Code Type Description
SMS_ID
300000004621
Created by admin on Sat Dec 16 11:48:52 GMT 2023 , Edited by admin on Sat Dec 16 11:48:52 GMT 2023
PRIMARY
FDA UNII
0661V34NTV
Created by admin on Sat Dec 16 11:48:52 GMT 2023 , Edited by admin on Sat Dec 16 11:48:52 GMT 2023
PRIMARY
CAS
1802632-22-9
Created by admin on Sat Dec 16 11:48:52 GMT 2023 , Edited by admin on Sat Dec 16 11:48:52 GMT 2023
PRIMARY
CAS
2243184-39-4
Created by admin on Sat Dec 16 11:48:52 GMT 2023 , Edited by admin on Sat Dec 16 11:48:52 GMT 2023
NO STRUCTURE GIVEN
PUBCHEM
118278088
Created by admin on Sat Dec 16 11:48:52 GMT 2023 , Edited by admin on Sat Dec 16 11:48:52 GMT 2023
PRIMARY