(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-1H-imidazol-5-yl)ethyl]pentanamide

Base Information

• Chemical Name: (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-1H-imidazol-5-yl)ethyl]pentanamide
• CAS No.: 92921-04-5
• Molecular Formula: C29H45 I N6 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00918893
• Mol file: 92921-04-5.mol

Synonyms:3 beta-azidocholyl-2-iodohistamine;AZCH;iodo-3 beta-azidocholylhistamine

Chemical Property of (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-1H-imidazol-5-yl)ethyl]pentanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 652.25979
• Heavy Atom Count: 39
• Complexity: 950

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)NCCC1=CN=C(N1)I)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)N=[N+]=[N-])C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)NCCC1=CN=C(N1)I)[C@H]2CCC3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@@H](C5)N=[N+]=[N-])C)O)O)C