Compound Summary
Compound Information
Vinblastine sulfate salt
Compound Name: | Vinblastine sulfate salt |
Compound CID: | 11957719 |
Synonyms: | Vinblastine sulfate salt CHEMBL1554098 HMS3263F16 Tox21_501227 CCG-222531 More... |
Iupac Name: | methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid |
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 |
InChIKey: | KDQAABAKXDWYSZ-DSRPYOOMSA-N |
Canonical Smiles: | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
Isomeric Smiles: | CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)C([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(CC7CC(CN(C7)CCC8=C6NC9=CC=CC=C89)(CC)O)C(=O)OC)OC)C.OS(=O)(=O)O |
Molecular Weight: | 909.1 |
Molecular Formula: | C46H60N4O13S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Vinblastine sulfate salt
Molecular Weight: | 909.1 |
Molecular Formula: | C46H60N4O13S |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 16 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 64 |
Complexity: | 1780 |
Synonyms
Vinblastine sulfate salt
| Vinblastine sulfate salt | Vinblastine sulfate salt |
|---|---|
Vinblastine sulfate salt |
CHEMBL1554098 |
HMS3263F16 |
Tox21_501227 |
CCG-222531 |
LP01227 |
NCGC00094469-01 |
NCGC00094469-02 |
NCGC00261912-01 |
EU-0101227 |
VLB |
V 1377 |
SR-01000076192 |
SR-01000076192-1 |
Experimental Data
Vinblastine sulfate salt
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Vinblastine sulfate salt
Statistics Data
Vinblastine sulfate salt
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6 | 1 | 1 |
Statistics Data Visualization
Vinblastine sulfate salt
