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Substance Name: BS 6534
RN: 5697-60-9
UNII: 6YQ2QXK9FR
InChIKey: JJPFUNXMPATRID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N-O.Cl-H

Molecular Weight

  • 347.927
 
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Names and Synonyms

Results Name

  • BS 6534

Name of Substance

  • Bufenadrine hydrochloride

Synonyms

  • 2-((o-tert-Butyl-alpha-phenylbenzyl)oxy)-N,N-dimethyl-ethylamine hydrochloride
  • BS 6534
  • Ethanamine, 2-((2-(1,1-dimethylethyl)phenyl)phenylmethoxy)-N,N-dimethyl-, hydrochloride
  • UNII-6YQ2QXK9FR

Systematic Name

  • Ethylamine, 2-((o-tert-butyl-alpha-phenylbenzyl)oxy)-N,N-dimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 5697-60-9

FDA UNII

  • 6YQ2QXK9FR

System Generated Number

  • 0005697609

Molecular Formulas

Molecular Formula

  • C21-H29-N-O.Cl-H

Molecular Formula Fragments

  • C21-H29-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO.ClH/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17;/h6-14,20H,15-16H2,1-5H3;1H

InChIKey

JJPFUNXMPATRID-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)OCC[NH+](C)C)c(cccc1)C(C)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 62, 1962.
mouse LD50 intravenous 50mg/kg (50mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 62, 1962.
mouse LD50 oral 300mg/kg (300mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 62, 1962.
mouse LD50 subcutaneous 350mg/kg (350mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 62, 1962.