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Substance Name: 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, diacetate (ester), hydrogen oxalate
RN: 63905-69-1
InChIKey: MNCIGKWNJKSUMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Cl-N-O2.C2-H2-O4

Molecular Weight

  • 491.921
 
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Names and Synonyms

  • 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, diacetate (ester), hydrogen oxalate

Registry Numbers

CAS Registry Number

  • 63905-69-1

System Generated Number

  • 0063905691

Molecular Formulas

Molecular Formula

  • C22-H24-Cl-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H24-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24ClNO4.C2H2O4/c1-14(25)27-21-12-17-10-11-24(3)20(19(17)13-22(21)28-15(2)26)9-6-16-4-7-18(23)8-5-16;3-1(4)2(5)6/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

MNCIGKWNJKSUMU-UHFFFAOYSA-N

Smiles

c12c(cc(OC(C)=O)c(OC(C)=O)c2)CC[N@@H+](C)[C@@H]1CCc1ccc(Cl)cc1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 291, 1965.