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Substance Name: Theodrenaline [INN:BAN]
RN: 13460-98-5
UNII: RW8PD99T8G
InChIKey: WMCMJIGLYZDKRN-UHFFFAOYSA-N

Classification Codes

  • Antihypertensive Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N5-O5

Molecular Weight

  • 375.3829
 
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Names and Synonyms

Name of Substance

  • Theodrenaline
  • Theodrenaline [INN:BAN]

Synonyms

  • 5-26-14-00012 (Beilstein Handbook Reference)
  • 7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)theophylline
  • 7-(2-(2-(3,4-Dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline
  • BRN 0590101
  • D 470
  • Norphedrinoethyltheophylline
  • Teodrenalina
  • Teodrenalina [INN-Spanish]
  • Theodrenalina
  • Theodrenalina [DCIT]
  • Theodrenaline
  • Theodrenalinum
  • Theodrenalinum [INN-Latin]
  • UNII-RW8PD99T8G

Systematic Names

  • 7-(2-(2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)ethyl)theophylline
  • Theophylline, 7-(2-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-
  • Theophylline, 7-(2-((beta,3,4-trihydroxyphenethyl)amino)ethyl)- (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 13460-98-5

FDA UNII

  • RW8PD99T8G

System Generated Number

  • 0013460985

Structure Descriptors

InChI

1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3

InChIKey

WMCMJIGLYZDKRN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCNCC(c3ccc(c(c3)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1140mg/kg (1140mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.