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Substance Name: Benzoic acid, 4-chloro-, 3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl ester, monohydrochloride, syn-
RN: 96480-44-3
InChIKey: WLBQWCHCDDUUCW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-Cl-N2-O2.Cl-H

Molecular Weight

  • 359.295
 
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Names and Synonyms

Synonyms

  • NK-1556
  • RGH 2957
  • syn-4-Chlorobenzoic acid 3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl ester hydrochloride
  • Yutac

Systematic Name

  • Benzoic acid, 4-chloro-, 3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl ester, monohydrochloride, syn-

Registry Numbers

CAS Registry Number

  • 96480-44-3

System Generated Number

  • 0096480443

Molecular Formulas

Molecular Formula

  • C17-H23-Cl-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H23-Cl-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23ClN2O2.ClH/c1-3-20-10-13-8-19(2)9-14(11-20)16(13)22-17(21)12-4-6-15(18)7-5-12;/h4-7,13-14,16H,3,8-11H2,1-2H3;1H

InChIKey

WLBQWCHCDDUUCW-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)Cl)(=O)OC1[C@@H]2CN(C[C@@H]1CN(C2)C)CC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 20mg/kg (20mg/kg)   Cardiovascular Drug Reviews. Vol. 11, Pg. 516, 1993.
mouse LD50 intravenous 25900ug/kg (25.9mg/kg)   Pharmacological Research Communications. Vol. 22, Pg. 463, 1990.
rat LD50 intravenous 6mg/kg (6mg/kg)   Cardiovascular Drug Reviews. Vol. 11, Pg. 516, 1993.
rat LD50 oral 200mg/kg (200mg/kg)   Cardiovascular Drug Reviews. Vol. 11, Pg. 516, 1993.