Antineoplastic-268242

Base Information

• Chemical Name: Antineoplastic-268242
• CAS No.: 70878-51-2
• Molecular Formula: C41H41NO10
• Molecular Weight: 744.2259
• NSC Number: 268242
• DSSTox Substance ID: DTXSID30991154
• ChEMBL ID: CHEMBL1989049

Synonyms:NSC268242;N,N-Dibenzyldaunorubicin hydrochloride;70878-51-2;C41H41NO10.ClH;C41-H41-N-O10.Cl-H;CHEMBL1989049;SCHEMBL15646425;ANTINEOPLASTIC-268242;DTXSID30991154;5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-;NSC-268242;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside--hydrogen chloride (1/1);5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-;5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,hydrochloride, (8S-cis)-;5, 8-acetyl-10-[[3-[bis-(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-

Chemical Property of Antineoplastic-268242

Chemical Property:

• Vapor Pressure: 2.04E-32mmHg at 25°C
• Boiling Point: 871°Cat760mmHg
• Flash Point: 480.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 743.2497242
• Heavy Atom Count: 53
• Complexity: 1260

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl
• Isomeric SMILES: CC1C(C(CC(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)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl

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