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Substance Name: Reproterol [INN:BAN]
RN: 54063-54-6
UNII: 11941YC6RN
InChIKey: WVLAAKXASPCBGT-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N5-O5

Molecular Weight

  • 389.4097
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic Agonists
  • Adrenergic beta-Agonists
  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Peripheral Nervous System Agents
  • Respiratory System Agents
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Names and Synonyms

Results Name

  • Reproterol [INN:BAN]

Name of Substance

  • Reproterol
  • Reproterol [INN:BAN]

Synonyms

  • 1,2,3,6-Tetrahydro-1,3-dimethyl-7-(3-((beta,3,5-trihydroxyphenethyl)amino)propyl)-2,6-purindion
  • 5-26-14-00026 (Beilstein Handbook Reference)
  • 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)theophylline
  • 7-(3-((beta,3,5-Trihydroxyphenethyl)amino)propyl)theophylline
  • BRN 0590567
  • D 1959
  • EINECS 258-956-1
  • Reproterol
  • Reproterolum
  • Reproterolum [INN-Latin]
  • UNII-11941YC6RN

Systematic Names

  • Reproterol
  • Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 54063-54-6

FDA UNII

  • 11941YC6RN

Related Registry Number

  • 13055-82-8 (mono-hydrochloride)

System Generated Number

  • 0054063546

Structure Descriptors

InChI

1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3

InChIKey

WVLAAKXASPCBGT-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNCC(c3cc(cc(c3)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 145mg/kg (145mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.390 (none)   EST
Atmospheric OH Rate Constant 2.98E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.