Bleomycin a2

Base Information

• Chemical Name: Bleomycin a2
• CAS No.: 11116-31-7
• Deprecated CAS: 1247874-09-4,69215-21-0,754126-85-7
• Molecular Formula: C₅₅H₈₄N₁₇O₂₁S₃
• Molecular Weight: 1415.57
• European Community (EC) Number: 232-925-2,234-356-5,689-127-6
• DSSTox Substance ID: DTXSID20872327
• Nikkaji Number: J25.633A
• Wikipedia: Bleomycin
• Wikidata: Q26841044
• NCI Thesaurus Code: C311,C313,C312
• RXCUI: 1621,1622
• Metabolomics Workbench ID: 133738
• ChEMBL ID: CHEMBL403664
• Mol file: 11116-31-7.mol

Synonyms:Bellon, Bléomycine;Bléomycine Bellon;Blanoxan;Blenoxane;BLEO cell;BLEO-cell;BLEOcell;Bleolem;Bleomicina;Bleomycin;Bleomycin A(2);Bleomycin A2;Bleomycin B(2);Bleomycin B2;Bleomycin Sulfate;Bleomycins;Bleomycinum Mack;Mack, Bleomycinum;Sulfate, Bleomycin

Chemical Property of Bleomycin a2

Chemical Property:

• PSA: 708.85000
• LogP: -1.97580
• XLogP3: -7.5
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 36
• Exact Mass: 1414.51898128
• Heavy Atom Count: 96
• Complexity: 2580

Purity/Quality:

98%,99%, ^*data from raw suppliers

BLEOMYCIN A2 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Antineoplastic Agents
• 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)NCCC[S+](C)C)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](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)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
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