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Substance Name: Arotinolol hydrochloride [JAN]
RN: 68377-91-3
UNII: 9DOI1HT306
InChIKey: XXDAXBZYUXLDRD-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C15-H21-N3-O2-S3.Cl-H

Molecular Weight

  • 408.009
 
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Names and Synonyms

Name of Substance

  • Arotinolol hydrochloride
  • Arotinolol hydrochloride [JAN]

Synonyms

  • (+-)-2-(3'-tert-Butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole HCl
  • Arotinolol HCl
  • Arotinolol hydrochloride
  • S 596
  • UNII-9DOI1HT306

Systematic Name

  • 2-Thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, monohydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 68377-91-3

FDA UNII

  • 9DOI1HT306

Related Registry Number

  • 52560-77-7 (Parent)

System Generated Number

  • 0068377913

Molecular Formulas

Molecular Formula

  • C15-H21-N3-O2-S3.Cl-H

Molecular Formula Fragments

  • C15-H21-N3-O2-S3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H

InChIKey

XXDAXBZYUXLDRD-UHFFFAOYSA-N

Smiles

c1(ccc(s1)c1nc(sc1)SC[C@@H](CNC(C)(C)C)O)C(=O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 360mg/kg (360mg/kg)   Drugs of the Future. Vol. 4, Pg. 442, 1979.
mouse LD50 intravenous 69mg/kg (69mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986.
mouse LD50 oral 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 4, Pg. 442, 1979.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.
rat LD50 intraperitoneal 340mg/kg (340mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986.
rat LD50 intravenous > 25mg/kg (25mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.
rat LD50 oral 86mg/kg (86mg/kg)   Drugs of the Future. Vol. 4, Pg. 442, 1979.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.