Brostallicin hydrochloride

Base Information

• Chemical Name: Brostallicin hydrochloride
• CAS No.: 203258-38-2
• Molecular Formula: C30H36BrClN12O5
• Molecular Weight: 760.04124
• UNII: 1DKC476797
• DSSTox Substance ID: DTXSID10174221
• Wikidata: Q27252288
• NCI Thesaurus Code: C128040
• ChEMBL ID: CHEMBL537929
• Mol file: 203258-38-2.mol

Synonyms:brostallicin;PNU 166196;PNU-166196;PNU166196

Chemical Property of Brostallicin hydrochloride

Chemical Property:

• PSA: 230.61000
• LogP: 5.10980
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 758.18035
• Heavy Atom Count: 49
• Complexity: 1280

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br.Cl
• Recent EU Clinical Trials: Phase II study of Brostallicin a(PNU- 166196) and Cisplatin (CDDP) in Adult Patients with Recurrent Squamous Cell Carcinoma of the Head and Neck (SCCHN)preceded by a dose-escalation component

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