N-(1-methylethyl)antibiotic BM 123-gamma

Base Information

• Chemical Name: N-(1-methylethyl)antibiotic BM 123-gamma
• CAS No.: 67527-59-7
• Molecular Formula: C40H66ClN13O13
• Molecular Weight: 972.4843
• Mol file: 67527-59-7.mol

Synonyms:iprocinodine

Chemical Property of N-(1-methylethyl)antibiotic BM 123-gamma

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 391.37000
• Density: g/cm³
• LogP: 3.04600
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 21
• Exact Mass: 971.4591569
• Heavy Atom Count: 67
• Complexity: 1670

Purity/Quality:

IPROCINODINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCCNCCCCNC(C)C)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4C(C5C(CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.Cl
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCNC(C)C)N=C(N)N)O)NC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@@H]5[C@@H](CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.Cl