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Substance Name: 4-Quinolinecarboxamide, 2-butoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, dihydrochloride, hemihydrate
RN: 104373-48-0
InChIKey: TVGMZUCKJJXUSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N5-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 1030.9642
 
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Names and Synonyms

Synonyms

  • 2-Butoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-4-quinolinecarboxamide 2HCl hemihydrate
  • RTECS VQ2520000

Systematic Name

  • 4-Quinolinecarboxamide, 2-butoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 104373-48-0

System Generated Number

  • 0104373480

Molecular Formulas

Molecular Formula

  • C25-H31-N5-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H31-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C25H31N5O2.4ClH.H2O/c2*1-2-3-18-32-24-19-21(20-8-4-5-9-22(20)28-24)25(31)27-12-13-29-14-16-30(17-15-29)23-10-6-7-11-26-23;;;;;/h2*4-11,19H,2-3,12-18H2,1H3,(H,27,31);4*1H;1H2

InChIKey

TVGMZUCKJJXUSM-UHFFFAOYSA-N

Smiles

CCCCOc1cc(c2ccccc2n1)C(=O)NCCN3CCN(CC3)c4ccccn4.CCCCOc1cc(c2ccccc2n1)C(=O)NCCN3CCN(CC3)c4ccccn4.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 278mg/kg (278mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.