Aclarubicin hydrochloride

Base Information

• Chemical Name: Aclarubicin hydrochloride
• CAS No.: 75443-99-1
• Molecular Formula: C42H53 N O15 . Cl H
• Molecular Weight: 848.33
• European Community (EC) Number: 278-209-3
• UNII: 501948RI66
• DSSTox Substance ID: DTXSID4046658
• NCI Thesaurus Code: C95830
• ChEMBL ID: CHEMBL1697719
• Mol file: 75443-99-1.mol

Synonyms:Aclacin;Aclacinomycin A;Aclaplastin;Aclarubicin;MA 144A1;MA-144A1;MA144A1;NSC 208734;NSC-208734;NSC208734

Chemical Property of Aclarubicin hydrochloride

Chemical Property:

• Vapor Pressure: 1.17E-34mmHg at 25°C
• Melting Point: 151-153℃
• Boiling Point: 897.7°C at 760 mmHg
• Flash Point: 496.7°C
• PSA: 217.05000
• LogP: 3.95970
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO or DMF at 25mg/ml
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 847.3181977
• Heavy Atom Count: 59
• Complexity: 1530

Purity/Quality:

98%Min ^*data from raw suppliers

AclarubicinHCl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O.Cl