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Substance Name: Cafedrine hydrochloride
RN: 3039-97-2
UNII: L0N3M64B9R
InChIKey: UTTZHZDGHMJDPM-NXCSSKFKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N5-O3.Cl-H

Molecular Weight

  • 393.8726
 
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Names and Synonyms

Results Name

  • Cafedrine hydrochloride

Name of Substance

  • Cafedrine hydrochloride

Synonyms

  • 1-Phenyl-2-(7-theophyllino-aethyl-amino)-propanol-(1)-hydrochlorid
  • 1-Phenyl-2-(7-theophyllino-aethyl-amino)-propanol-(1)-hydrochlorid [German]
  • 7-(2-(beta-Hydroxy-alpha-methylphenethylamino)ethyl)theophylline hydrochloride
  • Akrinor
  • Cafedrin hydrochlorid
  • Cafedrine HCl
  • Cafedrine hydrochloride
  • EINECS 221-243-0
  • L-Net
  • Norephedrine, N-(2-(7-theophyllinyl)ethyl)-, hydrochloride
  • Theophyllino-aethyl-nor-ephedrin-hydrochlorid
  • Theophyllino-aethyl-nor-ephedrin-hydrochlorid [German]
  • UNII-L0N3M64B9R

Systematic Names

  • (R-(R*,S*))-3,7-Dihydro-7-(2-((2-hydroxy-1-methyl-2-phenylethyl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
  • Theophylline, 7-(2-(beta-hydroxy-alpha-methylphenethylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 3039-97-2

FDA UNII

  • L0N3M64B9R

System Generated Number

  • 0003039972

Molecular Formulas

Molecular Formula

  • C18-H23-N5-O3.Cl-H

Molecular Formula Fragments

  • C18-H23-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H/t12-,15-;/m0./s1

InChIKey

UTTZHZDGHMJDPM-NXCSSKFKSA-N

Smiles

Cl.C[C@H](NCCn1cnc2N(C)C(=O)N(C)C(=O)c12)[C@H](O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 525mg/kg (525mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.