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Substance Name: Benzoic acid, p-(butylamino)-, 3-amino-2-hydroxypropyl ester, hydrochloride
RN: 100311-21-5
InChIKey: YXTIJVKBDFBNIG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O3.Cl-H

Molecular Weight

  • 302.8
 
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Names and Synonyms

Synonyms

  • 3-Amino-2-hydroxypropyl p-(butylamino)benzoate hydrochloride
  • 4-Butylamino-benzoesaeure-gamma-amino-beta-hydroxy-propyl-ester hydrochlorid
  • 4-Butylamino-benzoesaeure-gamma-amino-beta-hydroxy-propyl-ester hydrochlorid [German]
  • Tussicain hydrochloride

Systematic Name

  • Benzoic acid, p-(butylamino)-, 3-amino-2-hydroxypropyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100311-21-5

System Generated Number

  • 0100311215

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O3.Cl-H

Molecular Formula Fragments

  • C14-H22-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22N2O3.ClH/c1-2-3-8-16-12-6-4-11(5-7-12)14(18)19-10-13(17)9-15;/h4-7,13,16-17H,2-3,8-10,15H2,1H3;1H

InChIKey

YXTIJVKBDFBNIG-UHFFFAOYSA-N

Smiles

c1(ccc(NCCCC)cc1)C(OC[C@@H](C[NH3+])O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 11mg/kg (11mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1491, 1967.