Alvespimycin hydrochloride

Base Information

• Chemical Name: Alvespimycin hydrochloride
• CAS No.: 467214-21-7
• Molecular Formula: C32H49ClN4O8
• Molecular Weight: 653.21
• Hs Code.: 2941900000
• UNII: 612K359T69
• DSSTox Substance ID: DTXSID40431773
• Wikidata: Q27263276
• NCI Thesaurus Code: C76665
• ChEMBL ID: CHEMBL2105630
• Mol file: 467214-21-7.mol

Synonyms:17-(dimethylaminoethylamino)-17-demethoxy-geldanamycin;17-(dimethylaminoethylamino)-17-demethoxygeldanamycin;17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin;17-dimethylaminoethylamino-17-demethoxy-geldanamycin;17-DMAG;17DMAG;alvespimycin;KOS 1022;KOS-1022;KOS1022;NSC 707545;NSC707545

Chemical Property of Alvespimycin hydrochloride

Chemical Property:

• Boiling Point: 826.5 °C at 760 mmHg
• Flash Point: 453.7 °C
• PSA: 174.00000
• Density: 1.2
• LogP: 3.89580
• Storage Temp.: Store at -20
• Solubility.: ≥26.2 mg/mL in DMSO; insoluble in EtOH; ≥3.04 mg/mL in H2O
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 652.3238922
• Heavy Atom Count: 45
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

17-N-(2-Dimethylaminoethylamino)-17-demethoxyGeldanamycinHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC.Cl
• Isomeric SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC.Cl
• Recent ClinicalTrials: Alvespimycin Hydrochloride in Treating Patients With Relapsed Chronic Lymphocytic Leukemia, Small Lymphocytic Lymphoma, or B-Cell Prolymphocytic Leukemia
• Uses: Treatment of solid and hematological tumors.