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Substance Name: Isoquinoline, 3,4-dihydro-5-chloro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)
RN: 83658-65-5
InChIKey: XPXGJLTUWZNUQO-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-N3.2C4-H4-O4

Molecular Weight

  • 586.0378
 
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Names and Synonyms

  • Isoquinoline, 3,4-dihydro-5-chloro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 83658-65-5

System Generated Number

  • 0083658655

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-N3.2C4-H4-O4

Molecular Formula Fragments

  • C21-H24-Cl-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClN3.2C4H4O4/c1-24-10-12-25(13-11-24)15-17-14-19-18(8-5-9-20(19)22)21(23-17)16-6-3-2-4-7-16;2*5-3(6)1-2-4(7)8/h2-9,17H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

XPXGJLTUWZNUQO-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC2N=C(c3c(c(ccc3)Cl)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,