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Substance Name: Bitolterol mesylate [USAN]
RN: 30392-41-7
UNII: 4E53T3611U
InChIKey: HODFCFXCOMKRCG-UHFFFAOYSA-N

Classification Codes

  • Bronchodilator
  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N-O5.C-H4-O3-S

Molecular Weight

  • 557.661
 
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Names and Synonyms

Name of Substance

  • Bitolterol mesylate [USAN]
  • Bitolterol methanesulfonate

Synonyms

  • 4-(2-(t-Butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate mesilate
  • 4-(2-(tert-Butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate methanesulfonate (salt)
  • alpha((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol 3,4-di-p-toluate methanesulfonate (salt)
  • Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester methanesulfonate (salt)
  • Bitolterol mesilat
  • Bitolterol mesilate
  • Bitolterol mesylate
  • Effectin
  • EINECS 250-177-5
  • Tornalate
  • UNII-4E53T3611U
  • Win 32,784
  • WIN 32784

Systematic Names

  • (tert-Butyl)(beta-hydroxy-3,4-bis(p-toluoyloxy)phenethyl)ammonium methanesulphonate
  • Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester methanesulfonate (salt)
  • p-Toluic acid, 4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene ester, methanesulfonate(salt)

Registry Numbers

CAS Registry Number

  • 30392-41-7

FDA UNII

  • 4E53T3611U

Related Registry Number

  • 30392-40-6 (Parent)

System Generated Number

  • 0030392417

Molecular Formulas

Molecular Formula

  • C28-H31-N-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C28-H31-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)

InChIKey

HODFCFXCOMKRCG-UHFFFAOYSA-N

Smiles

C(NC[C@@H](c1ccc(c(c1)OC(c1ccc(C)cc1)=O)OC(c1ccc(C)cc1)=O)O)(C)(C)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31400ug/kg (31.4mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 884, 1979.
mouse LD50 oral 4116mg/kg (4116mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 884, 1979.
mouse LD50 subcutaneous > 11944mg/kg (11944mg/kg)   Drugs in Japan Vol. 6, Pg. 620, 1982.
rat LD50 intravenous 44mg/kg (44mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING
Yakkyoku. Pharmacy. Vol. 31, Pg. 513, 1980.
rat LD50 oral > 6221mg/kg (6221mg/kg)   Drugs in Japan Vol. 6, Pg. 620, 1982.
rat LD50 subcutaneous 4mg/kg (4mg/kg)   Fundamental and Applied Toxicology. Vol. 1, Pg. 443, 1981.