70384-29-1 (Sulfate)

Base Information

• Chemical Name: 70384-29-1 (Sulfate)
• CAS No.: 70384-29-1
• Molecular Formula: C61H90N18O25S3
• Molecular Weight: 1571.67
• ChEMBL ID: CHEMBL2359583
• DSSTox Substance ID: DTXSID7048613
• NCI Thesaurus Code: C1400
• Mol file: 70384-29-1.mol

Synonyms:NK 631;NK-631;NK631;Pepleomycin;Peplomycin;Peplomycin Sulfate;Peplomycin Sulfate (1:1);Sulfate, Peplomycin

Chemical Property of 70384-29-1 (Sulfate)

Chemical Property:

• Melting Point: 196-198°C
• PKA: 2.9, 4.8, 7.4, 9.0(at 25℃)
• PSA: 778.56000
• LogP: 0.31600
• Solubility.: DMSO, DMF, Methanol, Water
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 38
• Exact Mass: 1570.5486639
• Heavy Atom Count: 107
• Complexity: 2820

Purity/Quality:

98%min ^*data from raw suppliers

Peplomycin sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O.OS(=O)(=O)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCN[C@@H](C)C7=CC=CC=C7)O.OS(=O)(=O)O
• Uses: A derivative of Bleomycin with cytostatic activity and less pulmonary toxicity than the natural Bleomycin mixture A derivative of Bleomycin with cytostatic activity and less pulmonary toxicity than the natural Bleomycin mixture.
• Therapeutic Function: Antineoplastic