{Nitroso[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetic acid
[CAS# 76757-85-2]

Identification

• Name: {Nitroso[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetic acid
• Synonyms: Glycine, N-choloyl-N-nitroso-; N-Nitrosoglycocholic acid; BRN 4607451
• Molecular Formula: C₂₆H₄₂N₂O₇
• Molecular Weight: 494.62
• CAS Registry Number: 76757-85-2
• SMILES: O=C(O)CN(N=O)C(=O)CCC(C)C4CCC3C2C(C1(C(C[C@H](O)CC1)C[C@H]2O)C)C[C@H](O)C34C
• InChI: 1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14?,15?,16-,17?,18?,19?,20-,21+,24?,25?,26?/m1/s1
• InChIKey: IWZAMXSNVROOQA-XOKSHVTQSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 659.412°C at 760 mmHg (Cal.)
• Flash point: 352.6°C (Cal.)