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Substance Name: Brifentanil hydrochloride [USAN]
RN: 117268-95-8
UNII: CT60LNZ8I8
InChIKey: VHXNDLUDRKRBCQ-KPVRICSOSA-N

Classification Code

  • Analgesic (Narcotic)

Molecular Formula

  • C20-H29-F-N6-O3.Cl-H

Molecular Weight

  • 456.947
 
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Names and Synonyms

Name of Substance

  • Brifentanil hydrochloride [USAN]

Synonyms

  • (+-)-cis-N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-3-methyl-4-piperidyl)-2'-fluoro-2-methoxyacetanilide monohydrochloride
  • A 3331
  • A-3331
  • Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-N-(2-fluorophenyl)-2-methoxy-, monohydrochloride, cis-(+-)-
  • Brifentanil HCl
  • Brifentanil hydrochloride
  • UNII-CT60LNZ8I8

Systematic Names

  • Acetamide, N-((3R,4S)-1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-N-(2-fluorophenyl)-2-methoxy-, monohydrochloride, rel-
  • Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-N-(2-fluorophenyl)-2-methoxy-, monohydrochloride, cis-(+-)-

Registry Numbers

CAS Registry Number

  • 117268-95-8

FDA UNII

  • CT60LNZ8I8

Related Registry Number

  • 101345-71-5 (Parent)

System Generated Number

  • 0117268958

Molecular Formulas

Molecular Formula

  • C20-H29-F-N6-O3.Cl-H

Molecular Formula Fragments

  • C20-H29-F-N6-O3
  • Cl-H

Structure Descriptors

InChI

1S/C20H29FN6O3.ClH/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21;/h5-8,15,17H,4,9-14H2,1-3H3;1H/t15-,17+;/m0./s1

InChIKey

VHXNDLUDRKRBCQ-KPVRICSOSA-N

Smiles

Cl.CCN1N=NN(CCN2CC[C@H]([C@@H](C)C2)N(C(=O)COC)c3ccccc3F)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 191mg/kg (191mg/kg)   Drugs of the Future. Vol. 16, Pg. 706, 1991.
rat LD50 intravenous 53mg/kg (53mg/kg)   Drugs of the Future. Vol. 16, Pg. 706, 1991.