Ombrabulin hydrochlorideProduct ingredient for Ombrabulin
- Name
- Ombrabulin hydrochloride
- Drug Entry
- Ombrabulin
Ombrabulin has been used in trials studying the treatment of Sarcoma, Neoplasms, Solid Tumor, Neoplasms, Malignant, and Advanced Solid Tumors, among others.
- Accession Number
- DBSALT003312
- Structure
Structure for Ombrabulin hydrochloride (DBSALT003312)
- Synonyms
- Ombrabulin HCl
- UNII
- KXZ9NDO6H0
- CAS Number
- 253426-24-3
- Weight
- Average: 438.91
Monoisotopic: 438.1557643 - Chemical Formula
- C21H27ClN2O6
- InChI Key
- UQNRTPFLTRZEIM-MRWUDIQNSA-N
- InChI
- InChI=1S/C21H26N2O6.ClH/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3;/h5-11,15,24H,12,22H2,1-4H3,(H,23,25);1H/b6-5-;/t15-;/m0./s1
- IUPAC Name
- (2S)-2-amino-3-hydroxy-N-{2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl}propanamide hydrochloride
- SMILES
- Cl.COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1NC(=O)[C@@H](N)CO
- External Links
- ChemSpider
- 5293601
- ChEMBL
- CHEMBL585539
- Predicted Properties
Property Value Source logP 1.52 Chemaxon pKa (Strongest Acidic) 11.8 Chemaxon pKa (Strongest Basic) 7.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.27 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 111.63 m3·mol-1 Chemaxon Polarizability 42.01 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon