Cholyldiglycylhistamine
[CAS# 98584-68-0]

Identification

• Name: Cholyldiglycylhistamine
• Synonyms: (4R)-N-[2-[[2-[2-(3H-Imidazol-4-Yl)Ethylamino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanamide; (4R)-N-[
• Molecular Formula: C₃₃H₅₃N₅O₆
• Molecular Weight: 615.81
• CAS Registry Number: 98584-68-0
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(NCC(NCC(=O)NCCC5=CN=C[NH]5)=O)=O)C)C)O)O)C)O
• InChI: 1S/C33H53N5O6/c1-19(4-7-28(42)36-17-30(44)37-16-29(43)35-11-9-21-15-34-18-38-21)23-5-6-24-31-25(14-27(41)33(23,24)3)32(2)10-8-22(39)12-20(32)13-26(31)40/h15,18-20,22-27,31,39-41H,4-14,16-17H2,1-3H3,(H,34,38)(H,35,43)(H,36,42)(H,37,44)/t19-,20+,22-,23-,24+
• InChIKey: CYMOQRVLVAJWLY-DXUXSUHXSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 957.068°C at 760 mmHg (Cal.)
• Flash point: 532.616°C (Cal.)