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Substance Name: Isoquinoline, 3,4-dihydro-7-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)
RN: 83658-75-7
InChIKey: VASDTNTUVMMFPV-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O.2C4-H4-O4

Molecular Weight

  • 581.6185
 
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Names and Synonyms

  • Isoquinoline, 3,4-dihydro-7-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 83658-75-7

System Generated Number

  • 0083658757

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C22-H27-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N3O.2C4H4O4/c1-24-10-12-25(13-11-24)16-19-14-18-8-9-20(26-2)15-21(18)22(23-19)17-6-4-3-5-7-17;2*5-3(6)1-2-4(7)8/h3-9,15,19H,10-14,16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VASDTNTUVMMFPV-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC2N=C(c3c(ccc(c3)OC)C2)c4ccccc4.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 140mg/kg (140mg/kg)   United States Patent Document. Vol. #4386090,