4-(2- fluorophenyl)-6,8-dihydro-1,3,8-trimethyl-Pyrazolo[3,4-e][1,4]diazepin-7(1H)-one mixt. with 2-(ethylamino)-2-(2-thienyl)cyclohexanone hydrochloride
[CAS# 37291-85-3]

Identification

• Name: 4-(2- fluorophenyl)-6,8-dihydro-1,3,8-trimethyl-Pyrazolo[3,4-e][1,4]diazepin-7(1H)-one mixt. with 2-(ethylamino)-2-(2-thienyl)cyclohexanone hydrochloride
• Synonyms: 2-Ethylamino-2-(2-Thienyl)Cyclohexan-1-One; 4-(2-Fluorophenyl)-1,3,8-Trimethyl-6H-Pyrazolo[4,5-F][1,4]Diazepin-7-One; Hydrochloride; 2-Ethylamino-2-(2-Thienyl)-1-Cyclohexanone; 4-(2-Fluorophenyl)-1,3,8-Trimethyl-6H-Pyrazolo[4,5-F][1,4]Diazepin-7-One; Hydrochloride
• Molecular Formula: C₂₇H₃₃ClFN₅O₂S
• Molecular Weight: 546.10
• CAS Registry Number: 37291-85-3
• SMILES: [H+].C1=C(SC=C1)C2(NCC)CCCCC2=O.C5=C(C3=NCC(=O)N(C4=C3C(=N[N]4C)C)C)C(=CC=C5)F.[Cl-]
• InChI: 1S/C15H15FN4O.C12H17NOS.ClH/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9;1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h4-7H,8H2,1-3H3;5,7,9,13H,2-4,6,8H2,1H3;1H
• InChIKey: KNRZNTXYCKLZIW-UHFFFAOYSA-N

Properties

• Boiling point: 506.6°C at 760 mmHg (Cal.)
• Flash point: 260.2°C (Cal.)