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Substance Name: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isobutyl ester
RN: 36769-48-9
InChIKey: LRSDNUVUJLHRAP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-O4

Molecular Weight

  • 279.334
 
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Names and Synonyms

Synonyms

  • 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-, isobutyl ester
  • 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isobutyl ester
  • BRN 0488898

Systematic Name

  • 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isobutyl ester

Registry Numbers

CAS Registry Number

  • 36769-48-9

System Generated Number

  • 0036769489

Structure Descriptors

InChI

1S/C15H21NO4/c1-9(2)8-20-15(19)14-11-5-4-10(17)6-12(11)13(18)7-16(14)3/h4-6,9,13-14,17-18H,7-8H2,1-3H3

InChIKey

LRSDNUVUJLHRAP-UHFFFAOYSA-N

Smiles

c12[C@@H]([N@@](C[C@@H](c1cc(O)cc2)O)C)C(OCC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.
mouse LD50 intravenous 180mg/kg (180mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.