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Substance Name: 2-Hexyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-, hydrochloride
RN: 40415-97-2
InChIKey: LXEQYBICHMSASZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-Cl2-N-O.Cl-H

Molecular Weight

  • 302.671
 
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Names and Synonyms

Synonym

  • N,N-Bis(2-chloroethyl)-4-methoxy-4-methyl-2-hexyn-1-amine hydrochloride

Systematic Name

  • 2-Hexyn-1-amine, N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 40415-97-2

System Generated Number

  • 0040415972

Molecular Formulas

Molecular Formula

  • C12-H21-Cl2-N-O.Cl-H

Molecular Formula Fragments

  • C12-H21-Cl2-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H21Cl2NO.ClH/c1-4-12(2,16-3)6-5-9-15(10-7-13)11-8-14;/h4,7-11H2,1-3H3;1H

InChIKey

LXEQYBICHMSASZ-UHFFFAOYSA-N

Smiles

C([C@@](CC)(OC)C)#CC[NH+](CCCl)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Russian Pharmacology and Toxicology Vol. 43, Pg. 68, 1980.