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Substance Name: Granatoline, 9-methyl-, 2-chloro-6-methylcarbanilate (ester), monohydrochloride
RN: 29389-49-9
InChIKey: AUICEHWXGNTUEI-WQTKJZBYSA-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

Synonym

  • 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride

Systematic Name

  • Granatoline, 9-methyl-, 2-chloro-6-methylcarbanilate (ester), monohydrochloride

Registry Numbers

CAS Registry Number

  • 29389-49-9

System Generated Number

  • 0029389499

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/c1-11-5-3-8-15(18)16(11)19-17(21)22-14-9-12-6-4-7-13(10-14)20(12)2;/h3,5,8,12-14H,4,6-7,9-10H2,1-2H3,(H,19,21);1H/t12-,13+,14-;

InChIKey

AUICEHWXGNTUEI-WQTKJZBYSA-N

Smiles

C1[C@H]2CCC[C@H](C[C@@H]1OC(=O)Nc1c(cccc1Cl)C)N2C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 239, 1970.