Product Name

  • Name

    7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

  • EINECS 235-942-3
  • CAS No. 13055-82-8
  • Density 1.47g/cm3
  • Solubility
  • Melting Point 249-250°
  • Formula C18H23 N5 O5 . Cl H
  • Boiling Point 723.4°Cat760mmHg
  • Molecular Weight 425.92
  • Flash Point 391.3°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also THEOPHYLLINE.
  • Risk Codes
  • Molecular Structure Molecular Structure of 13055-82-8 (7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride)
  • Hazard Symbols
  • Synonyms 1H-Purine-2,6-dione,7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-,monohydrochloride (9CI); Theophylline, 7-[3-[(b,3,5-trihydroxyphenethyl)amino]propyl]-, hydrochloride(7CI); Theophylline, 7-[3-[(b,3,5-trihydroxyphenethyl)amino]propyl]-, monohydrochloride (8CI);Asmaterolo; Bronchodil; Bronchospasmin; D 1959 HCl; Reproterol hydrochloride; W2946M
  • PSA 134.54000
  • LogP 0.75110

Reproterol hydrochloride Chemical Properties

Product Name: Reproterol hydrochloride (CAS NO.13055-82-8)


Molecular Formula: C18H24ClN5O5
Molecular Weight: 425.86666g/mol
Mol File: 13055-82-8.mol
Einecs: 235-942-3
Boiling point: 723.4 °C at 760 mmHg
Flash Point: 391.3 °C
Enthalpy of Vaporization: 110.9 kJ/mol
Vapour Pressure: 5.82E-22 mmHg at 25°C
H-Bond Donor: 5
H-Bond Acceptor: 7
IUPAC Name: 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,
3-dimethylpurine-2,6-dione hydrochloride
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O.Cl
InChI: InChI=1S/C18H23N5O5.ClH/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;1H 
InChIKey: XSFWDHONRBZVEJ-UHFFFAOYSA-N

Reproterol hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 160mg/kg (160mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.
dog LD50 oral 400mg/kg (400mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: COMA

GASTROINTESTINAL: NAUSEA OR VOMITING		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.
mouse LD50 intravenous 148mg/kg (148mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.
mouse LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.
rat LD50 intravenous 142mg/kg (142mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.
rat LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA		 Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 45, 1977.

Reproterol hydrochloride Safety Profile

Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also THEOPHYLLINE.

Reproterol hydrochloride Specification

 Reproterol hydrochloride ,its CAS NO. is 13055-82-8,the synonyms is 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride ; Reproterol hydrochloride ; 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]-amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dionmonohydrochlorid ; 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione·hydrochloride .

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