Thyrotropin Releasing Hormone Chloromethyl Ketone
[CAS# 76819-95-9]

Identification

• Name: Thyrotropin Releasing Hormone Chloromethyl Ketone
• Synonyms: (2S)-N-[(1S)-2-[(2S)-2-(2-Chloroacetyl)Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[(2S)-2-(2-Chloro-1-Oxoethyl)-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-2-[(2S)-2-(2-Chloroacetyl)Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₇H₂₂ClN₅O₄
• Molecular Weight: 395.84
• CAS Registry Number: 76819-95-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H]2NC(=O)CC2)CC3=CN=C[NH]3)C(=O)CCl
• InChI: 1S/C17H22ClN5O4/c18-7-14(24)13-2-1-5-23(13)17(27)12(6-10-8-19-9-20-10)22-16(26)11-3-4-15(25)21-11/h8-9,11-13H,1-7H2,(H,19,20)(H,21,25)(H,22,26)/t11-,12-,13-/m0/s1
• InChIKey: IUYWTEQKCXPSLN-AVGNSLFASA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 881.365°C at 760 mmHg (Cal.)
• Flash point: 486.832°C (Cal.)