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Substance Name: beta-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
RN: 187884-87-3
InChIKey: KHJUAUGETKHIEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O2

Molecular Weight

  • 246.3082
 
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Names and Synonyms

Synonym

  • N-(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-

Registry Numbers

CAS Registry Number

  • 187884-87-3

System Generated Number

  • 0187884873

Structure Descriptors

InChI

1S/C14H18N2O2/c1-14(2)9-10-5-3-4-6-11(10)13(16-14)15-8-7-12(17)18/h3-6H,7-9H2,1-2H3,(H,15,16)(H,17,18)

InChIKey

KHJUAUGETKHIEI-UHFFFAOYSA-N

Smiles

CC1(Cc2ccccc2C(=N1)NCCC(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 399mg/kg (399mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 675, 1996.