Compound Summary
Vinblastine sulfate
Compound Information
Vinblastine sulfate
Compound Name: | Vinblastine sulfate |
Compound CID: | 5388983 |
Synonyms: | Vinblastine sulfate 143-67-9 Velban Velsar Vinblastine (sulfate) More... |
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[13.3.1.04,12.05,10]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-PNYVAJAMSA-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@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
Molecular Weight: | 909.1 |
Molecular Formula: | C46H60N4O13S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Vinblastine sulfate
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
| Vinblastine sulfate | Vinblastine sulfate |
|---|---|
Vinblastine sulfate |
143-67-9 |
Velban |
Velsar |
Vinblastine (sulfate) |
Velbe |
EXAL |
UNII-N00W22YO2B |
vincaleukoblastine,sulfate(1:1) |
29060-LE |
MLS000863275 |
Vincaleukoblastine, sulfate (1:1) (salt) |
N00W22YO2B |
Belvan, VLB |
Vinblastine sulphate |
NSC-49842 |
SMR000058844 |
Vincaleucoblastine sulfate |
DSSTox_CID_27831 |
DSSTox_RID_82594 |
DSSTox_GSID_47853 |
Uniblastin |
Rozevin sulfate |
29060 LE |
CAS-18556-44-0 |
Vincaleukoblastine, sulfate |
CCRIS 2584 |
vinblastinesulfate |
CHEMBL378544 |
NCGC00095285-01 |
EINECS 205-606-0 |
Vinblastine sulfate USAN:USP:JAN |
Opera_ID_960 |
AI3-52943 |
NCGC00181127-01 |
SCHEMBL3549 |
MLS000069550 |
MLS002153253 |
MLS002207069 |
DTXSID7047853 |
HMS2235E07 |
HMS3403N09 |
Tox21_111498 |
Tox21_112735 |
AC-821 |
AKOS015960580 |
Tox21_111498_1 |
Tox21_112735_1 |
29060LE |
CS-1365 |
MCULE-9557143632 |
NCGC00263548-01 |
NCGC00344583-01 |
HY-13780 |
N2255 |
143V679 |
SR-01000000155 |
Vinblastine sulfate salt, powder, >=96% (HPLC) |
SR-01000000155-7 |
Q27077057 |
Vinblastine sulfate, European Pharmacopoeia (EP) Reference Standard |
Vinblastine sulfate, United States Pharmacopeia (USP) Reference Standard |
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo13.3.1.0?,??.0?,??nonadeca-4(12),5(10),6,8-tetraen-13-yl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0?,?.0?,?.0??,??nonadeca-2(7),3,5,13-tetraene-10-carboxylate; sulfuric acid |
methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano1azacycloundecino5,4-bindol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino8,1-cdcarbazole-5-carboxylate sulfate |
Experimental Data
Vinblastine sulfate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 20.000000000000000 | umol/L | 54.600000000000000 | 51.830000000000000 | -5.076000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 50.200000000000000 | 48.810000000000000 | -2.764000000000000 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
Vinblastine sulfate
Statistics Data
Vinblastine sulfate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | -2.764000000000000 | 1 | 2 |
Statistics Data Visualization
Vinblastine sulfate
