Esorubicin hydrochloride

Base Information

• Chemical Name: Esorubicin hydrochloride
• CAS No.: 63950-06-1
• Molecular Formula: C27H29 N O10 . Cl H
• Molecular Weight: 563.9808
• European Community (EC) Number: 264-575-1
• UNII: 2UB1JJT82D
• DSSTox Substance ID: DTXSID90213783
• Wikidata: Q27255615
• NCI Thesaurus Code: C74943
• ChEMBL ID: CHEMBL2106222

Synonyms:4'-deoxyadriamycin;4'-deoxydoxorubicin;4'-deoxydoxorubicin hydrochloride;4-desoxydoxorubicin;esorubicin

Chemical Property of Esorubicin hydrochloride

Chemical Property:

• Vapor Pressure: 1.16E-24mmHg at 25°C
• Boiling Point: 765.8°C at 760 mmHg
• Flash Point: 416.9°C
• PSA: 185.84000
• Density: 1.55g/cm³
• LogP: 2.53280
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 563.1558238
• Heavy Atom Count: 39
• Complexity: 945

Purity/Quality:

99% ^*data from raw suppliers

EsorubicinHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N.Cl
• Isomeric SMILES: C[C@H]1C[C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N.Cl
• Uses: Antineoplastic. Esorubicin Hydrochloride is the hydrochloride salt of Esorubicin and a derivative of Doxorubicin (D558000). Esorubicin is an anthracycline that has potential antiproliferative activity against human tumour cell lines and experiementally shows efficacy Doxorubicin-resistant malignancies.

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