3beta-Azidocholyl-2-Iodohistamine
[CAS# 92921-04-5]

Identification

• Name: 3beta-Azidocholyl-2-Iodohistamine
• Synonyms: (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,17R)-3-Azido-7,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-N-[2-(2-Iodo-3H-Imidazol-4-Yl)Ethyl]Valeramide; Iodo-3Beta-Azidocholylhistamine; 3Beta-Azidoch
• Molecular Formula: C₂₉H₄₅IN₆O₃
• Molecular Weight: 652.62
• CAS Registry Number: 92921-04-5
• SMILES: [N+](=[N-])=N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4(C3CC[C@@H]4[C@@H](CCC(=O)NCCC5=CN=C([NH]5)I)C)C)O)O)C
• InChI: 1S/C29H45IN6O3/c1-16(4-7-25(39)32-11-9-19-15-33-27(30)34-19)20-5-6-21-26-22(14-24(38)29(20,21)3)28(2)10-8-18(35-36-31)12-17(28)13-23(26)37/h15-18,20-24,26,37-38H,4-14H2,1-3H3,(H,32,39)(H,33,34)/t16-,17+,18+,20-,21?,22+,23-,24+,26+,28+,29-/m1/s1
• InChIKey: IFQAUICFVCGLJL-NWDWNXPCSA-N