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Substance Name: 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3-amino-1-oxopropyl)-, monohydrochloride
RN: 117007-36-0
InChIKey: VQZWHYMMXQXBFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-N2-O5.Cl-H

Molecular Weight

  • 326.8183
 
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Names and Synonyms

Synonyms

  • 13-(3-Amino-1-oxopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane monohydrochloride
  • N-(beta-Alanyl)aza-15-crown-5 hydrochloride

Systematic Name

  • 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3-amino-1-oxopropyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117007-36-0

System Generated Number

  • 0117007360

Molecular Formulas

Molecular Formula

  • C13-H26-N2-O5.Cl-H

Molecular Formula Fragments

  • C13-H26-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H26N2O5.ClH/c14-2-1-13(16)15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15;/h1-12,14H2;1H

InChIKey

VQZWHYMMXQXBFC-UHFFFAOYSA-N

Smiles

C1COCCOCCOCCOCCN1C(=O)CCN.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 650mg/kg (650mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 444, 1988.