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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H23NO3.ClH
Molecular Weight 325.83
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTRAXATE HYDROCHLORIDE

SMILES

Cl.NC[C@H]1CC[C@@H](CC1)C(=O)C2=CC=C(CCC(O)=O)C=C2

InChI

InChIKey=SQPDKJPOCJNLSJ-IOJSEOPQSA-N
InChI=1S/C17H23NO3.ClH/c18-11-13-3-8-15(9-4-13)17(21)14-6-1-12(2-7-14)5-10-16(19)20;/h1-2,6-7,13,15H,3-5,8-11,18H2,(H,19,20);1H/t13-,15-;

HIDE SMILES / InChI

Approval Year

Name Type Language
ROTRAXATE HYDROCHLORIDE
MI  
Common Name English
CUMELON
Brand Name English
TEI-5103
Code English
BENZENEPROPANOIC ACID, 4-((4-(AMINOMETHYL)CYCLOHEXYL)CARBONYL)-, HYDROCHLORIDE, TRANS-
Common Name English
ROTRAXATE HYDROCHLORIDE [MI]
Common Name English
TG-51
Code English
ROTRAXATE HYDROCHLORIDE [JAN]
Common Name English
Code System Code Type Description
MERCK INDEX
m920
Created by admin on Sat Dec 16 08:20:37 UTC 2023 , Edited by admin on Sat Dec 16 08:20:37 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID101002470
Created by admin on Sat Dec 16 08:20:37 UTC 2023 , Edited by admin on Sat Dec 16 08:20:37 UTC 2023
PRIMARY
FDA UNII
2OX5EZ739O
Created by admin on Sat Dec 16 08:20:37 UTC 2023 , Edited by admin on Sat Dec 16 08:20:37 UTC 2023
PRIMARY
PUBCHEM
133826
Created by admin on Sat Dec 16 08:20:37 UTC 2023 , Edited by admin on Sat Dec 16 08:20:37 UTC 2023
PRIMARY
CAS
82085-94-7
Created by admin on Sat Dec 16 08:20:37 UTC 2023 , Edited by admin on Sat Dec 16 08:20:37 UTC 2023
PRIMARY