Rochlorid
[CAS# 84057-89-6]

Identification

• Name: Rochlorid
• Synonyms: [4-(4-Amino-6,7-Dimethoxy-Quinazolin-2-Yl)Piperazin-1-Yl]-(2-Furyl)Methanone; 6-Chloro-2-Methyl-1,1-Dioxo-3-(2,2,2-Trifluoroethylsulfanylmethyl)-3,4-Dihydrobenzo[E][1,2,4]Thiadiazine-7-Sulfonamide; Hydrochloride; [4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-1-Piperazinyl]-(2-Furyl)Methanone; 6-Chloro-2-Methyl-1,1-Dioxo-3-[(2,2,2-Trifluoroethylthio)Methyl]-3,4-Dihydrobenzo[E][1,2,4]Thiadiazine-7-Sulfonamide; Hydrochloride
• Molecular Formula: C₃₀H₃₅Cl₂F₃N₈O₈S₃
• Molecular Weight: 859.74
• CAS Registry Number: 84057-89-6
• SMILES: O1C(=CC=C1)C(=O)N4CCN(C2=NC(=C3C(=N2)C=C(OC)C(=C3)OC)N)CC4.[H+].C6=C5[S](=O)(=O)N(C(NC5=CC(=C6[S](=O)(=O)N)Cl)CSCC(F)(F)F)C.[Cl-]
• InChI: 1S/C19H21N5O4.C11H13ClF3N3O4S3.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);2-3,10,17H,4-5H2,1H3,(H2,16,19,20);1H
• InChIKey: RJXADVANIGCCSN-UHFFFAOYSA-N

Properties

• Boiling point: 638.4°C at 760 mmHg (Cal.)
• Flash point: 339.9°C (Cal.)