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Substance Name: 3-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride
RN: 73728-80-0
InChIKey: DVVKFFLFPWILNJ-UHFFFAOYSA-N

Molecular Formula

  • C21-H26-Cl-N-O3.Cl-H

Molecular Weight

  • 412.354
 
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Names and Synonyms

Synonyms

  • 5-Chloro-2-hydroxy-3-biphenylcarboxylic acid 2-(diisopropylamino)ethyl ester hydrochloride
  • NSC 7459

Systematic Names

  • (1,1'-Biphenyl)-3-carboxylic acid, 5-chloro-2-hydroxy-, 2-(bis(1-methylethyl)amino)ethyl ester, hydrochloride (9CI)
  • 3-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 73728-80-0

System Generated Number

  • 0073728800

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H26-Cl-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26ClNO3.ClH/c1-14(2)23(15(3)4)10-11-26-21(25)19-13-17(22)12-18(20(19)24)16-8-6-5-7-9-16;/h5-9,12-15,24H,10-11H2,1-4H3;1H

InChIKey

DVVKFFLFPWILNJ-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)c(c(cc(c1)Cl)C(OCC[NH+](C(C)C)C(C)C)=O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00321,