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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO5.ClH
Molecular Weight 381.851
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRETOQUINOL HYDROCHLORIDE ANHYDROUS, (+)-

SMILES

Cl.COC1=CC(C[C@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC

InChI

InChIKey=UHSXRTHJCJGEKG-PFEQFJNWSA-N
InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H/t14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23NO5
Molecular Weight 345.3896
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:01:35 GMT 2025
Edited
by admin
on Mon Mar 31 22:01:35 GMT 2025
Record UNII
LE0J437ZZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRETOQUINOL HYDROCHLORIDE ANHYDROUS, (+)-
Common Name English
(+)-(R)-TRIMETHOQUINOL HYDROCHLORIDE
Preferred Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE (1:1), (1R)-
Systematic Name English
TRETOQUINOL HYDROCHLORIDE, (+)-
Common Name English
(+)-1-(3,4,5-TRIMETHOXYBENZYL)-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Systematic Name English
AQD
Common Name English
Code System Code Type Description
PUBCHEM
70687147
Created by admin on Mon Mar 31 22:01:35 GMT 2025 , Edited by admin on Mon Mar 31 22:01:35 GMT 2025
PRIMARY
CAS
18559-60-9
Created by admin on Mon Mar 31 22:01:35 GMT 2025 , Edited by admin on Mon Mar 31 22:01:35 GMT 2025
PRIMARY
FDA UNII
LE0J437ZZU
Created by admin on Mon Mar 31 22:01:35 GMT 2025 , Edited by admin on Mon Mar 31 22:01:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID401350301
Created by admin on Mon Mar 31 22:01:35 GMT 2025 , Edited by admin on Mon Mar 31 22:01:35 GMT 2025
PRIMARY