Orotirelin
[CAS# 62305-86-6]

Identification

• Name: Orotirelin
• Synonyms: N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-2,6-Dioxo-3H-Pyrimidine-4-Carboxamide; N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-2,6-Dioxo-3H-Pyrimidine-4-Carboxamide; N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2,6-Diketo-3H-Pyrimidine-4-Carboxamide
• Molecular Formula: C₁₆H₁₉N₇O₅
• Molecular Weight: 389.37
• CAS Registry Number: 62305-86-6
• SMILES: [C@@H]3(N(C([C@H](CC1=CN=C[NH]1)NC(C2=CC(NC(N2)=O)=O)=O)=O)CCC3)C(N)=O
• InChI: 1S/C16H19N7O5/c17-13(25)11-2-1-3-23(11)15(27)10(4-8-6-18-7-19-8)20-14(26)9-5-12(24)22-16(28)21-9/h5-7,10-11H,1-4H2,(H2,17,25)(H,18,19)(H,20,26)(H2,21,22,24,28)/t10-,11-/m0/s1
• InChIKey: XZOCIZHAHWDUPU-QWRGUYRKSA-N

Properties

• Density: 1.519g/cm³ (Cal.)