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Substance Name: 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2)
RN: 83658-67-7
InChIKey: YWZUCYORRONJJL-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2.2C4-H4-O4

Molecular Weight

  • 538.5936
 
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Names and Synonyms

  • 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2)

Registry Numbers

CAS Registry Number

  • 83658-67-7

System Generated Number

  • 0083658677

Molecular Formulas

Molecular Formula

  • C21-H26-N2.2C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2.2C4H4O4/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17;2*5-3(6)1-2-4(7)8/h6-13,19H,4-5,14-15H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

YWZUCYORRONJJL-LVEZLNDCSA-N

Smiles

CCN(CC1N=C(c2c(ccc(c2)C)C1)c3ccccc3)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   United States Patent Document. Vol. #4386090,