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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26N2O3S.ClH
Molecular Weight 386.937
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELEQUAMINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12CCCN([C@@]1([H])C[C@]3([H])N(CCC4=C3C=CC(OC)=C4)C2)S(C)(=O)=O

InChI

InChIKey=ITJOISLXCMAIOC-CVLULELNSA-N
InChI=1S/C18H26N2O3S.ClH/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19;/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3;1H/t14-,17+,18+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DELEQUAMINE HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
DELEQUAMINE HCL
Common Name English
Delequamine hydrochloride [WHO-DD]
Common Name English
RS-15385-197
Code English
(8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino[2,1-g][1,6]naphthyridine monohydrochloride
Common Name English
6H-ISOQUINO(2,1-G)(1,6)NAPHTHYRIDINE, 5,8,8A,9,10,11,12,12A,13,13A-DECAHYDRO-3-METHOXY-12-(METHYLSULFONYL)-, MONOHYDROCHLORIDE, (8AR-(8A.ALPHA.,12A.ALPHA.,13A.ALPHA.))-
Common Name English
DELEQUAMINE HYDROCHLORIDE [USAN]
Common Name English
Code System Code Type Description
PUBCHEM
168898
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL163911
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
CAS
119942-75-5
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
FDA UNII
YV5E1TYM8Y
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID40923148
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
MESH
C060956
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
NCI_THESAURUS
C169882
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY
USAN
EE-72
Created by admin on Fri Dec 15 17:20:16 UTC 2023 , Edited by admin on Fri Dec 15 17:20:16 UTC 2023
PRIMARY