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Substance Name: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester
RN: 23824-33-1
InChIKey: CFWZZSMSRRLHCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-O4

Molecular Weight

  • 265.307
 
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Names and Synonyms

Synonyms

  • 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-1,2,3,4-tetrahydro-, isobutyl ester
  • 4,6-Dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isobutyl ester
  • BRN 0489051

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23824-33-1

System Generated Number

  • 0023824331

Structure Descriptors

InChI

1S/C14H19NO4/c1-8(2)7-19-14(18)13-10-4-3-9(16)5-11(10)12(17)6-15-13/h3-5,8,12-13,15-17H,6-7H2,1-2H3

InChIKey

CFWZZSMSRRLHCB-UHFFFAOYSA-N

Smiles

c12c([C@@H](CN[C@@H]1C(OCC(C)C)=O)O)cc(O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.
mouse LD50 intravenous 420mg/kg (420mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 67, 1969.