Vindesine sulfateProduct ingredient for Vindesine
- Name
- Vindesine sulfate
- Drug Entry
- Vindesine
Vinblastine derivative with antineoplastic activity against cancer. Major side effects are myelosuppression and neurotoxicity. Vindesine is used extensively in chemotherapy protocols (antineoplastic combined chemotherapy protocols).
- Accession Number
- DBSALT000440
- Structure
Structure for Vindesine sulfate (DBSALT000440)
- Synonyms
- Vindesina sulfato / Vindesine sulfate
- External IDs
- Lilly 99094 / LY 099094 / LY099094
- UNII
- CPH2U7DNDY
- CAS Number
- 59917-39-4
- Weight
- Average: 852.01
Monoisotopic: 851.377528849 - Chemical Formula
- C43H57N5O11S
- InChI Key
- COFJBSXICYYSKG-OAUVCNBTSA-N
- InChI
- InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34-,35+,36+,39-,40+,41+,42-,43-;/m0./s1
- IUPAC Name
- methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraene-13-carboxylate; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC
- External Links
- PubChem Compound
- 43116
- ChemSpider
- 21782063
- ChEBI
- 32295
- ChEMBL
- CHEMBL3989543
- Predicted Properties
Property Value Source Water Solubility 0.07 mg/mL ALOGPS logP 3.53 ALOGPS logP 2.79 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 11.34 Chemaxon pKa (Strongest Basic) 8.68 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 164.82 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 210.32 m3·mol-1 Chemaxon Polarizability 82 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