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Substance Name: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide
RN: 63978-80-3
InChIKey: UUDKPZFKHOHPJC-UHFFFAOYSA-N

Molecular Formula

  • C20-H21-Cl-F3-N-O.Br-H

Molecular Weight

  • 464.751
 
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Names and Synonyms

  • 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 63978-80-3

System Generated Number

  • 0063978803

Molecular Formulas

Molecular Formula

  • C20-H21-Cl-F3-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H21-Cl-F3-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21ClF3NO.BrH/c1-25(2)17-8-4-7-15-18(10-9-16(21)19(15)17)26-12-13-5-3-6-14(11-13)20(22,23)24;/h3,5-6,9-11,17H,4,7-8,12H2,1-2H3;1H

InChIKey

UUDKPZFKHOHPJC-UHFFFAOYSA-N

Smiles

c12c(c(OCc3cc(ccc3)C(F)(F)F)ccc2Cl)CCC[C@@H]1[NH+](C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1003, 1973.