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Substance Name: Cafedrine [INN:BAN]
RN: 58166-83-9
UNII: 0UYY5V4U2Q
InChIKey: UJSKUDDDPKGBJY-WFASDCNBSA-N

Classification Codes

  • Antihypertensive Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
  • Vasodilator Agents

Molecular Formula

  • C18-H23-N5-O3

Molecular Weight

  • 357.4117
 
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Names and Synonyms

Name of Substance

  • Cafedrine [INN:BAN]

Synonyms

  • (-)-Cafedrine
  • 5-26-14-00009 (Beilstein Handbook Reference)
  • 7-(2-((alphaS,betaR)-beta-Hydroxy-alpha-methylphenethylamino)ethyl)-1,3-dimethyl-2,6(1H,3H)purindion
  • 7-(2-(2-Hydroxy-1-methylphenethylamino)ethyl)theophylline
  • 7-(2-(beta-Hydroxy-alpha-methylphenethylamino)ethyl)theophylline
  • BRN 0583473
  • Cafedrin
  • Cafedrina
  • Cafedrina [INN-Spanish]
  • Cafedrine
  • Cafedrinum
  • Cafedrinum [INN-Latin]
  • l-Cafedrine
  • UNII-0UYY5V4U2Q

Systematic Names

  • 7-(2-(2-Hydroxy-1-methylphenethylamino)ethyl)theophylline
  • Theophylline, 7-(2-(beta-hydroxy-alpha-methylphenethylamino)ethyl)-

Registry Numbers

CAS Registry Number

  • 58166-83-9

FDA UNII

  • 0UYY5V4U2Q

Other Registry Number

  • 78396-34-6

System Generated Number

  • 0058166839

Structure Descriptors

InChI

1S/C18H23N5O3/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/t12-,15-/m0/s1

InChIKey

UJSKUDDDPKGBJY-WFASDCNBSA-N

Smiles

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