Sagopilone

Base Information

• Chemical Name: Sagopilone
• CAS No.: 305841-29-6
• Molecular Formula: C30H41NO6S
• Molecular Weight: 543.71
• European Community (EC) Number: 682-320-6
• UNII: KY72JU32FO
• ChEMBL ID: CHEMBL2304041
• DSSTox Substance ID: DTXSID30952866
• Metabolomics Workbench ID: 153385
• NCI Thesaurus Code: C61072
• Nikkaji Number: J2.410.580F
• Wikidata: Q27282501
• Mol file: 305841-29-6.mol

Synonyms:BAY-86-5302;DE-03757;EPO-477;sagopilone;SH-Y-03757;SH-Y03757A;ZK-219477;ZK-EPO;ZK-epothilone

Chemical Property of Sagopilone

Chemical Property:

• Boiling Point: 711.9±60.0 °C(Predicted)
• PKA: 13.53±0.70(Predicted)
• PSA: 137.49000
• Density: 1.153g/cm³
• LogP: 5.45610
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 543.26545920
• Heavy Atom Count: 38
• Complexity: 881

Purity/Quality:

98%Min ^*data from raw suppliers

ZK EPOTHILONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C
• Isomeric SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C
• Recent ClinicalTrials: Efficacy and Safety Study of ZK219477 in Patients With Recurrent Ovarian Cancer
• Recent EU Clinical Trials: (REASON) double-blind, Randomized phase II study to Evaluate the safety and efficacy of Acetyl-l-carnitine in the prevention of SagOpilone-induced peripheral Neuropathy.