N-[(3alpha,5beta,7beta,8xi,9xi,14xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]-N-Methylglycyl-N-Methylglycine
[CAS# 125347-55-9]

Identification

• Name: N-[(3alpha,5beta,7beta,8xi,9xi,14xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]-N-Methylglycyl-N-Methylglycine
• Synonyms: Sarcosylsarco-udca; Sarcosylsarcoursodeoxycholic acid
• Molecular Formula: C₃₀H₅₀N₂O₆
• Molecular Weight: 534.73
• CAS Registry Number: 125347-55-9
• SMILES: O=C(O)CN(C(=O)CN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)CCC4C2[C@@H](O)C[C@@H]3C[C@H](O)CC[C@@]34C)C)C)C
• InChI: 1S/C30H50N2O6/c1-18(6-9-25(35)31(4)16-26(36)32(5)17-27(37)38)21-7-8-22-28-23(11-13-30(21,22)3)29(2)12-10-20(33)14-19(29)15-24(28)34/h18-24,28,33-34H,6-17H2,1-5H3,(H,37,38)/t18-,19+,20-,21-,22?,23?,24+,28?,29+,30-/m1/s1
• InChIKey: NYZUPUYHLQFXIW-BXZRAMIWSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 701.461°C at 760 mmHg (Cal.)
• Flash point: 378.03°C (Cal.)
• Refractive index: 1.549 (Cal.)