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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4S.ClH
Molecular Weight 436.952
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REPINOTAN HYDROCHLORIDE

SMILES

Cl.O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C4=C1C=CC=C4

InChI

InChIKey=IGKYREHZJIHPML-UNTBIKODSA-N
InChI=1S/C21H24N2O4S.ClH/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17;/h1-4,7-10,17,22H,5-6,11-15H2;1H/t17-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
REPINOTAN HYDROCHLORIDE
MI  
Common Name English
BAY X 3702
Code English
REPINOTAN HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
FDA UNII
1KBQ63168A
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY
PUBCHEM
198756
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY
MERCK INDEX
m9527
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID70932465
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY
CAS
144980-77-8
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY
DRUG BANK
DBSALT002021
Created by admin on Fri Dec 15 15:58:37 UTC 2023 , Edited by admin on Fri Dec 15 15:58:37 UTC 2023
PRIMARY