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Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO2.ClH
Molecular Weight 213.661
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride

SMILES

Cl.OC(=O)C1CC2=C(CN1)C=CC=C2

InChI

InChIKey=FXHCFPUEIDRTMR-UHFFFAOYSA-N
InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H

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 C10H11NO2
Molecular Weight 177.1998
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:14:38 GMT 2025
Edited
by admin
on Wed Apr 02 09:14:38 GMT 2025
Record UNII
W8V592VM3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
Systematic Name English
3-Carboxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Preferred Name English
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride
Systematic Name English
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50962144
Created by admin on Wed Apr 02 09:14:38 GMT 2025 , Edited by admin on Wed Apr 02 09:14:38 GMT 2025
PRIMARY
CAS
41994-51-8
Created by admin on Wed Apr 02 09:14:38 GMT 2025 , Edited by admin on Wed Apr 02 09:14:38 GMT 2025
PRIMARY
PUBCHEM
2724135
Created by admin on Wed Apr 02 09:14:38 GMT 2025 , Edited by admin on Wed Apr 02 09:14:38 GMT 2025
PRIMARY
FDA UNII
W8V592VM3Z
Created by admin on Wed Apr 02 09:14:38 GMT 2025 , Edited by admin on Wed Apr 02 09:14:38 GMT 2025
PRIMARY
Related Record Type Details
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