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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H37N3O7S.ClH
Molecular Weight 620.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ITX-5061

SMILES

Cl.COC1=C(NS(C)(=O)=O)C=C(C=C1NC(=O)C(=O)C2=C3C=CC=CC3=C(OCCN4CCOCC4)C=C2)C(C)(C)C

InChI

InChIKey=ICIJBYYMEBOTQP-UHFFFAOYSA-N
InChI=1S/C30H37N3O7S.ClH/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33;/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
ITX-5061
Common Name English
KC706
Code English
KC-706
Code English
ITX 5061
Code English
1-NAPHTHALENEACETAMIDE, N-(5-(1,1-DIMETHYLETHYL)-2-METHOXY-3-((METHYLSULFONYL)AMINO)PHENYL)-4-(2-(4-MORPHOLINYL)ETHOXY)-.ALPHA.-OXO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1252679-52-9
Created by admin on Sat Dec 16 02:51:57 UTC 2023 , Edited by admin on Sat Dec 16 02:51:57 UTC 2023
PRIMARY
PUBCHEM
56843466
Created by admin on Sat Dec 16 02:51:57 UTC 2023 , Edited by admin on Sat Dec 16 02:51:57 UTC 2023
PRIMARY
FDA UNII
J4RA8K2Q2A
Created by admin on Sat Dec 16 02:51:57 UTC 2023 , Edited by admin on Sat Dec 16 02:51:57 UTC 2023
PRIMARY
DRUG BANK
DB05157
Created by admin on Sat Dec 16 02:51:57 UTC 2023 , Edited by admin on Sat Dec 16 02:51:57 UTC 2023
PRIMARY