N-Benzyldaunorubicin hydrochloride hydrate

Base Information

• Chemical Name: N-Benzyldaunorubicin hydrochloride hydrate
• CAS No.: 70844-04-1
• Molecular Formula: C34H36ClNO10
• Molecular Weight: 654.1033
• ChEMBL ID: CHEMBL3247999

Synonyms:N-Benzyldaunomycin HCl;N-Benzyldaunomycin hydrochloride;CHEMBL3247999;N-Benzyldaunorubicin hydrochloride;NSC 268241;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-

Chemical Property of N-Benzyldaunorubicin hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 3.62E-29mmHg at 25°C
• Boiling Point: 829.6°Cat760mmHg
• Flash Point: 455.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 653.2027740
• Heavy Atom Count: 46
• Complexity: 1110

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC6=CC=CC=C6)O.Cl
• Isomeric SMILES: C[C@H]1[C@H]([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)C)O)NCC6=CC=CC=C6)O.Cl

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