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Substance Name: 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4- tetrahydrocarbazole-2-carboxylic acid
RN: 58479-48-4
InChIKey: AXNKKKFNADVIAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl-N2-O2.Cl-H

Molecular Weight

  • 405.323
 
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Names and Synonyms

Name of Substance

  • 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4- tetrahydrocarbazole-2-carboxylic acid

Synonyms

  • 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
  • 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid HCl

Systematic Name

  • 1H-Carbazole-2-carboxylic acid, 2,3,4,9-tetrahydro-6-chloro-9-(2-(6-methyl-3-pyridinyl)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 58479-48-4

System Generated Number

  • 0058479484

Molecular Formulas

Molecular Formula

  • C21-H21-Cl-N2-O2.Cl-H

Molecular Formula Fragments

  • C21-H21-Cl-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21ClN2O2.ClH/c1-13-2-3-14(12-23-13)8-9-24-19-7-5-16(22)11-18(19)17-6-4-15(21(25)26)10-20(17)24;/h2-3,5,7,11-12,15H,4,6,8-10H2,1H3,(H,25,26);1H

InChIKey

AXNKKKFNADVIAJ-UHFFFAOYSA-N

Smiles

C12=C([N+](CCc3ccc(C)nc3)c3c1cc(Cl)cc3)C[C@@H](C(O)=O)CC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 348, 1977.
mouse LD50 oral 13gm/kg (13000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 348, 1977.
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 348, 1977.
rabbit LD50 oral 880mg/kg (880mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 348, 1977.
rat LD50 oral > 4gm/kg (4000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 348, 1977.