Gossypol acetic acid

Base Information

• Chemical Name: Gossypol acetic acid
• CAS No.: 12542-36-8
• Molecular Formula: C30H30O8^.C2H4O2
• Molecular Weight: 578.61
• Hs Code.: 29153900
• European Community (EC) Number: 623-939-3
• NSC Number: 727858,19048
• UNII: U9GNI6VT5N,S7RL72610R
• DSSTox Substance ID: DTXSID90921593
• NCI Thesaurus Code: C78348
• ChEMBL ID: CHEMBL1516388
• Mol file: 12542-36-8.mol

Synonyms:AT 101;AT-101;AT101;gosspyl acetate;gossypol acetic acid

Chemical Property of Gossypol acetic acid

Chemical Property:

• Appearance/Colour: Yellow crystal powder
• Vapor Pressure: 1.05E-20mmHg at 25°C
• Melting Point: 164-168 °C
• Boiling Point: 707.9 °C at 760 mmHg
• Flash Point: 395.9 °C
• PSA: 192.82000
• LogP: 6.47310
• Storage Temp.: −20°C
• Solubility.: Soluble in acetone or methanol at 5mg/ml
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 578.21519728
• Heavy Atom Count: 42
• Complexity: 811

Purity/Quality:

99% ^*data from raw suppliers

Gossypol-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O
• Recent ClinicalTrials: Gossypol Acetic Acid With Lenalidomide and Dexamethasone in Treating Patients With Relapsed Symptomatic Multiple Myeloma
• Uses: Gossypol is a mixture of natural polyphenols isolated from the cotton plant. It causes spermatogenesis arrest in humans and also functions as an anti-malarial agent. Antiinflammatory. Anticancer.