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Substance Name: Thiofentanil oxalate
RN: 61086-45-1
InChIKey: BABZHNGIRGHXSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3-S.C2-H2-O4

Molecular Weight

  • 490.574
 
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Names and Synonyms

Name of Substance

  • Thiofentanil oxalate

Synonym

  • Thiofentanil oxalate

Systematic Name

  • 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 61086-45-1

System Generated Number

  • 0061086451

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H28-N2-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2O3S.C2H2O4/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19;3-1(4)2(5)6/h4-10,17H,3,11-16H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

BABZHNGIRGHXSO-UHFFFAOYSA-N

Smiles

CCC(=O)N(c1ccccc1)C2(CCN(CCc3cccs3)CC2)C(=O)OC.OC(=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 1mg/kg (1mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 26, Pg. 241, 1991.
monkey LD50 intravenous 5ug/kg (0.005mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 26, Pg. 241, 1991.
mouse LD50 intraperitoneal 52500ug/kg (52.5mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 26, Pg. 241, 1991.
rabbit LD50 intravenous 10ug/kg (0.01mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 26, Pg. 241, 1991.
rat LD50 intramuscular 1100ug/kg (1.1mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 26, Pg. 241, 1991.