Vinblastine sulfateProduct ingredient for Vinblastine
- Name
- Vinblastine sulfate
- Drug Entry
- Vinblastine
Antitumor alkaloid isolated from Vinca rosea. (Merck, 11th ed.)
- Accession Number
- DBSALT000644
- Structure
Structure for Vinblastine sulfate (DBSALT000644)
- Synonyms
- Vinblastine sulphate / Vincaleukoblastine sulfate
- External IDs
- 29060-LE / 29060LE / NSC-49842
- UNII
- N00W22YO2B
- CAS Number
- 143-67-9
- Weight
- Average: 909.06
Monoisotopic: 908.387759182 - Chemical Formula
- C46H60N4O13S
- InChI Key
- KDQAABAKXDWYSZ-PNYVAJAMSA-N
- InChI
- InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1
- IUPAC Name
- methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC
- External Links
- KEGG Compound
- C11626
- PubChem Compound
- 241902
- ChemSpider
- 4535008
- ChEBI
- 9984
- ChEMBL
- CHEMBL378544
- Wikipedia
- Vinblastine
- Predicted Properties
Property Value Source Water Solubility 0.0169 mg/mL ALOGPS logP 4.22 ALOGPS logP 4.18 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 10.87 Chemaxon pKa (Strongest Basic) 8.86 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 154.1 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 222.42 m3·mol-1 Chemaxon Polarizability 87.34 Å3 Chemaxon Number of Rings 9 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon