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Substance Name: tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate
RN: 100482-72-2
InChIKey: JLROSPQNNNKWQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H17-Cl2-N-O.C6-H3-N3-O7

Molecular Weight

  • 443.238
 
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Names and Synonyms

Synonyms

  • N,N-Bis(2-chloroethyl)-tert-butylamine N-oxide picrate
  • N-tert-Butyl-bis(2-chloroethyl)amine N-oxide picrate

Systematic Name

  • tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate

Registry Numbers

CAS Registry Number

  • 100482-72-2

System Generated Number

  • 0100482722

Molecular Formulas

Molecular Formula

  • C8-H17-Cl2-N-O.C6-H3-N3-O7

Molecular Formula Fragments

  • C6-H3-N3-O7
  • C8-H17-Cl2-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C8H17Cl2NO.C6H3N3O7/c1-8(2,3)11(12,6-4-9)7-5-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H2,1-3H3;1-2,10H

InChIKey

JLROSPQNNNKWQD-UHFFFAOYSA-N

Smiles

CC(C)(C)[N+](CCCl)(CCCl)[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 300mg/kg (300mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 99, 1960.