2-[2,4-Bis(Tert-Pentyl)Phenoxy]-N-[4-[4,5-Dihydro-5-Oxo-3-(Pyrrolidin-1-Yl)-1H-Pyrazol-1-Yl]Phenyl]-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Butyramide Monohydrochloride
[CAS# 63059-50-7]

Identification

• Name: 2-[2,4-Bis(Tert-Pentyl)Phenoxy]-N-[4-[4,5-Dihydro-5-Oxo-3-(Pyrrolidin-1-Yl)-1H-Pyrazol-1-Yl]Phenyl]-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Butyramide Monohydrochloride
• Synonyms: 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-N-[4-[5-Oxo-4-(1-Phenyltetrazol-5-Yl)Sulfanyl-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl]Phenyl]Butanamide Hydrochloride; 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-N-[4-[5-Oxo-4-[(1-Phenyl-5-Tetrazolyl)Thio]-3-1-Pyrrolidinyl-4H-Pyrazol-1-Yl]Phenyl]Butanamide Hydrochloride; 2-(2,4-Ditert-Amylphenoxy)-N-[4-[5-Keto-4-[(1-Phenyltetrazol-5-Yl)Thio]-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl]Phenyl]Butyramide Hydrochloride
• Molecular Formula: C₄₀H₅₁ClN₈O₃S
• Molecular Weight: 759.41
• CAS Registry Number: 63059-50-7
• EINECS: 263-822-0
• SMILES: [H+].C5=C(N4N=C(N1CCCC1)C(SC2=NN=N[N]2C3=CC=CC=C3)C4=O)C=CC(=C5)NC(=O)C(OC6=CC=C(C=C6C(CC)(C)C)C(CC)(C)C)CC.[Cl-]
• InChI: 1S/C40H50N8O3S.ClH/c1-8-32(51-33-23-18-27(39(4,5)9-2)26-31(33)40(6,7)10-3)36(49)41-28-19-21-30(22-20-28)47-37(50)34(35(43-47)46-24-14-15-25-46)52-38-42-44-45-48(38)29-16-12-11-13-17-29;/h11-13,16-23,26,32,34H,8-10,14-15,24-25H2,1-7H3,(H,41,49);1H
• InChIKey: MSZZAZVGVLVBBO-UHFFFAOYSA-N

Properties

• Boiling point: 872.8°C at 760 mmHg (Cal.)
• Flash point: 481.7°C (Cal.)