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Substance Name: 1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)
RN: 80065-56-1
InChIKey: VMXINWSRRNXJPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F3-N3-O2.C4-H6-O4

Molecular Weight

  • 551.5588
 
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Names and Synonyms

Synonyms

  • WR 225448
  • WR 225448 succinate

Systematic Name

  • 1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 80065-56-1

Related Registry Number

  • 80065-55-0 (Parent)

System Generated Number

  • 0080065561

Molecular Formulas

Molecular Formula

  • C23-H26-F3-N3-O2.C4-H6-O4

Molecular Formula Fragments

  • C23-H26-F3-N3-O2
  • C4-H6-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26F3N3O2.C4H6O4/c1-14-9-11-28-21-18(29-15(2)6-5-10-27)13-19(30-3)22(20(14)21)31-17-8-4-7-16(12-17)23(24,25)26;5-3(6)1-2-4(7)8/h4,7-9,11-13,15,29H,5-6,10,27H2,1-3H3;1-2H2,(H,5,6)(H,7,8)

InChIKey

VMXINWSRRNXJPQ-UHFFFAOYSA-N

Smiles

Cc1ccnc2c1c(c(cc2NC(C)CCCN)OC)Oc3cccc(c3)C(F)(F)F.C(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 26700ug/kg (26.7mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 222, 1992.
guinea pig LD50 oral 174mg/kg (174mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 222, 1992.
guinea pig LD50 oral 174mg/kg (174mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 222, 1992.
mouse LD50 intraperitoneal 46500ug/kg (46.5mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 222, 1992.
mouse LD50 oral 236mg/kg (236mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 222, 1992.
rat LD50 intraperitoneal 54mg/kg (54mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1728, 1989.
rat LD50 oral 259mg/kg (259mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1728, 1989.