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Substance Name: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isopentyl ester
RN: 23824-29-5
InChIKey: HELVHBUMENIROO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O4

Molecular Weight

  • 293.361
 
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Names and Synonyms

Synonyms

  • 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-, isopentyl ester
  • 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isopentyl ester
  • BRN 0490628

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23824-29-5

System Generated Number

  • 0023824295

Structure Descriptors

InChI

1S/C16H23NO4/c1-10(2)6-7-21-16(20)15-12-5-4-11(18)8-13(12)14(19)9-17(15)3/h4-5,8,10,14-15,18-19H,6-7,9H2,1-3H3

InChIKey

HELVHBUMENIROO-UHFFFAOYSA-N

Smiles

c12c([C@@H](C[N@@]([C@@H]1C(OCCC(C)C)=O)C)O)cc(O)cc2

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 150mg/kg (150mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.