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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO5
Molecular Weight 345.3896
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC(C[C@H]2NCCC3=C2C=C(O)C(O)=C3)=CC(OC)=C1OC

InChI

InChIKey=RGVPOXRFEPSFGH-CQSZACIVSA-N
InChI=1S/C19H23NO5/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/t14-/m1/s1

HIDE SMILES / InChI

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 Sat Dec 16 08:00:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:26 GMT 2023
Record UNII
R3W0Z48O6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRETOQUINOL, (+)-
Common Name English
(D)-1-(3,4,5-TRIMETHOXYBENZYL)-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE
Common Name English
(+)-(R)-TRIMETHOQUINOL
Common Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, (1R)-
Systematic Name English
Code System Code Type Description
FDA UNII
R3W0Z48O6V
Created by admin on Sat Dec 16 08:00:26 GMT 2023 , Edited by admin on Sat Dec 16 08:00:26 GMT 2023
PRIMARY
PUBCHEM
12224034
Created by admin on Sat Dec 16 08:00:26 GMT 2023 , Edited by admin on Sat Dec 16 08:00:26 GMT 2023
PRIMARY
CAS
36478-07-6
Created by admin on Sat Dec 16 08:00:26 GMT 2023 , Edited by admin on Sat Dec 16 08:00:26 GMT 2023
PRIMARY