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Substance Name: 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, sodium salt
RN: 200064-91-1
InChIKey: LJMBZQAKXCXYTF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-N-O2.Na

Molecular Weight

  • 213.2108
 
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Names and Synonyms

Synonyms

  • (1,2,3,4-Tetrahydro-2-isoquinolyl)acetic acid sodium salt
  • Sodium (1,2,3,4-tetrahydro-2-isoquinolyl)acetate
  • Sodium 3,4-dihydro-2(1H)-isoquinolineacetate

Systematic Name

  • 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, sodium salt

Registry Numbers

CAS Registry Number

  • 200064-91-1

System Generated Number

  • 0200064911

Molecular Formulas

Molecular Formula

  • C11-H12-N-O2.Na

Molecular Formula Fragments

  • C11-H12-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H13NO2.Na/c13-11(14)8-12-6-5-9-3-1-2-4-10(9)7-12;/h1-4H,5-8H2,(H,13,14);/q;+1/p-1

InChIKey

LJMBZQAKXCXYTF-UHFFFAOYSA-M

Smiles

c1ccc2c(c1)CCN(C2)CC(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3550mg/kg (3550mg/kg)   Chemistry of Heterocyclic Compounds Vol. 33, Pg. 234, 1997.