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Substance Name: Zosuquidar Trihydrochloride [USAN]
RN: 167465-36-3
UNII: 813AGY3126
InChIKey: ZPFVQKPWGDRLHL-WITOOOCMSA-N

Note

  • Multidrug resistance modulator.

Classification Codes

  • P-Glycoprotein Modulator
  • Treatment of Multidrug Resistance (Modulator of P-Gp Resistance)

Molecular Formula

  • C32-H31-F2-N3-O2.3Cl-H

Molecular Weight

  • 636.995
 
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Names and Synonyms

Name of Substance

  • Zosuquidar Trihydrochloride [USAN]

Synonyms

  • (R)-4-((1aR,6R,10bS)-1,2-Difluoro-1,1a,6,10b-tetrahydrodibenzo(a,e)cyclopropa(c)cycloheptan-6-yl)-alpha-((5-quinoloyloxy)methyl)-1-piperazineethanol trihydrochloride
  • LY 335979
  • LY335979
  • UNII-813AGY3126
  • Zosuquidar HCl
  • Zosuquidar Trihydrochloride

Systematic Names

  • (R)-4-((1aR,6R,10bS)-1,2-Difluoro-1,1a,6,10b-tetrahydrodibenzo(a,e)cyclopropa(c)cycloheptan-6-yl)-alpha-((5-quinoloyloxy)methyl)-1-piperazineethanol, trihydrochloride
  • 1-Piperazineethanol, 4-(1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo(a,e)cyclopropa(c)cycloheptan-6-yl)-alpha-1((5-quinolinyloxy)methyl-, trihydrochloride, (6(R)-(1alpha,6alpha,10balpha))-

Registry Numbers

CAS Registry Number

  • 167465-36-3

FDA UNII

  • 813AGY3126

System Generated Number

  • 0167465363

Molecular Formulas

Molecular Formula

  • C32-H31-F2-N3-O2.3Cl-H

Molecular Formula Fragments

  • C32-H31-F2-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31-;;;/m1.../s1

InChIKey

ZPFVQKPWGDRLHL-WITOOOCMSA-N

Smiles

c1(c2c(ccc1)nccc2)OC[C@@H](CN1CCN([C@H]2c3ccccc3[C@@H]3C([C@@H]3c3c2cccc3)(F)F)CC1)O.Cl.Cl.Cl