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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15NO4
Molecular Weight 237.2518
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (S)-

SMILES

COC1=CC2=C(C[C@H](NC2)C(O)=O)C=C1OC

InChI

InChIKey=BWYXEHBJIMGDEB-VIFPVBQESA-N
InChI=1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15NO4
Molecular Weight 237.2518
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 09:59:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:59:18 GMT 2023
Record UNII
962K79T8SA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (S)-
Common Name English
6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (-)-
Systematic Name English
1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-3-ISOQUINOLINECARBOXYLIC ACID, (3S)
Systematic Name English
3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (3S)-
Systematic Name English
(S)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Systematic Name English
MOEXIPRIL RELATED COMPOUND E FREE BASE
Common Name English
Code System Code Type Description
FDA UNII
962K79T8SA
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY
CAS
103733-66-0
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY
PUBCHEM
854137
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY