Montirelin
[CAS 90243-66-6]

Identification

• Name: Montirelin
• Synonyms: (6R)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-6-Methyl-5-Oxo-Thiomorpholine-3-Carboxamide; (6R)-N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-6-Methyl-5-Oxo-3-Thiomorpholinecar
• Molecular Formula: C₁₇H₂₄N₆O₄S
• Molecular Weight: 408.47
• CAS Registry Number: 90243-66-6
• SMILES: [C@H]1(CCCN1C(=O)[C@H](CC2=CN=C[NH]2)NC(=O)C3NC([C@H](SC3)C)=O)C(N)=O
• InChI: 1S/C17H24N6O4S/c1-9-15(25)22-12(7-28-9)16(26)21-11(5-10-6-19-8-20-10)17(27)23-4-2-3-13(23)14(18)24/h6,8-9,11-13H,2-5,7H2,1H3,(H2,18,24)(H,19,20)(H,21,26)(H,22,25)/t9-,11+,12?,13+/m1/s1
• InChIKey: RSHMQGIMHQPMEB-KDSSVLPPSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 994.223°C at 760 mmHg (Cal.)
• Flash point: 555.086°C (Cal.)