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Substance Name: 6-Purinyltrimethylammonium chloride
RN: 13020-83-2
UNII: M0D2MM116H
InChIKey: KAXOGJJMSSUYJI-UHFFFAOYSA-M

Molecular Formula

  • C8-H12-N5.Cl

Molecular Weight

  • 213.671
 
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Names and Synonyms

Name of Substance

  • 6-Purinyltrimethylammonium chloride

Synonyms

  • AD 707
  • AI3-50864
  • EINECS 235-880-7
  • FDA 0064
  • N,N,N-Trimethyl-1H-purin-6-aminium chloride
  • NSC 51095
  • Purin-6-yltrimethylammonium chloride
  • QUAP
  • Trimethylpurin-6-ylammonium chloride
  • UNII-M0D2MM116H

Systematic Names

  • 1H-Purin-6-aminium, N,N,N-trimethyl-, chloride (9CI)
  • Ammonium, (purin-6-yl)trimethyl-, chloride
  • Ammonium, trimethylpurin-6-yl-, chloride (8CI)
  • Trimethyl(purin-6-yl)ammonium chloride

Registry Numbers

CAS Registry Number

  • 13020-83-2

FDA UNII

  • M0D2MM116H

Related Registry Number

  • 15402-36-5 (Parent)

System Generated Number

  • 0013020832

Molecular Formulas

Molecular Formula

  • C8-H12-N5.Cl

Molecular Formula Fragments

  • C8-H12-N5
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C8H12N5.ClH/c1-13(2,3)8-11-6-4-9-5-10-7(6)12-8;/h4-5H,1-3H3,(H,9,10,11,12);1H/q+1;/p-1

InChIKey

KAXOGJJMSSUYJI-UHFFFAOYSA-M

Smiles

c1([N+](C)(C)C)[nH]c2cncnc2n1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 391mg/kg (391mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 391mg/kg (391mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,