Brifentanil
[CAS# 101345-71-5]

Identification

• Name: Brifentanil
• Synonyms: N-[(3R,4S)-1-[2-(4-Ethyl-5-Oxo-Tetrazol-1-Yl)Ethyl]-3-Methyl-4-Piperidyl]-N-(2-Fluorophenyl)-2-Methoxy-Acetamide Hydrochloride; N-[(3R,4S)-1-[2-(4-Ethyl-5-Oxo-1-Tetrazolyl)Ethyl]-3-Methyl-4-Piperidinyl]-N-(2-Fluorophenyl)-2-Methoxyacetamide Hydrochloride; N-[(3R,4S)-1-[2-(4-Ethyl-5-Keto-Tetrazol-1-Yl)Ethyl]-3-Methyl-4-Piperidyl]-N-(2-Fluorophenyl)-2-Methoxy-Acetamide Hydrochloride
• Molecular Formula: C₂₀H₃₀ClFN₆O₃
• Molecular Weight: 456.95
• CAS Registry Number: 101345-71-5
• SMILES: [C@@H]2(N(C1=CC=CC=C1F)C(=O)COC)[C@@H](CN(CC2)CCN3N=NN(C3=O)CC)C.[H+].[Cl-]
• 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+;/m1./s1
• InChIKey: VHXNDLUDRKRBCQ-KALLACGZSA-N

Properties

• Boiling point: 515.2°C at 760 mmHg (Cal.)
• Flash point: 265.4°C (Cal.)