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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17BrClNO4
Molecular Weight 390.657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Bromo-2-tert-butoxycarbonyl-5-chloro-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid

SMILES

CC(C)(C)OC(=O)N1CCC2=C(Cl)C(C(O)=O)=C(Br)C=C2C1

InChI

InChIKey=TXDOJODBVNPFKQ-UHFFFAOYSA-N
InChI=1S/C15H17BrClNO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H17BrClNO4
Molecular Weight 390.657
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:45:14 GMT 2025
Edited
by admin
on Wed Apr 02 18:45:14 GMT 2025
Record UNII
45T5GH3HH5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6(1H)-Isoquinolinedicarboxylic acid, 7-bromo-5-chloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
Preferred Name English
7-Bromo-2-tert-butoxycarbonyl-5-chloro-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid
Systematic Name English
2-(1,1-Dimethylethyl) 7-bromo-5-chloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
169435310
Created by admin on Wed Apr 02 18:45:14 GMT 2025 , Edited by admin on Wed Apr 02 18:45:14 GMT 2025
PRIMARY
CAS
2832100-74-8
Created by admin on Wed Apr 02 18:45:14 GMT 2025 , Edited by admin on Wed Apr 02 18:45:14 GMT 2025
PRIMARY
FDA UNII
45T5GH3HH5
Created by admin on Wed Apr 02 18:45:14 GMT 2025 , Edited by admin on Wed Apr 02 18:45:14 GMT 2025
PRIMARY