Compound Summary
Compound Information
Vincristine sulfate
Compound Name: | Vincristine sulfate |
Compound CID: | 249332 |
Synonyms: | Vincristine sulfate 2068-78-2 Vincristine sulphate Kyocristine Leurocristine sulfate More... |
Iupac Name: | methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-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/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1 |
InChIKey: | AQTQHPDCURKLKT-JKDPCDLQSA-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=O)(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=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
Molecular Weight: | 923 |
Molecular Formula: | C46H58N4O14S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Vincristine sulfate
Molecular Weight: | 923 |
Molecular Formula: | C46H58N4O14S |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 16 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 65 |
Complexity: | 1830 |
Synonyms
Vincristine sulfate
| Vincristine sulfate | Vincristine sulfate |
|---|---|
Vincristine sulfate |
2068-78-2 |
Vincristine sulphate |
Kyocristine |
Leurocristine sulfate |
Oncovin |
Onkovin |
Vincrisul |
22-oxovincaleukoblastine sulfate |
VCR sulfate |
NSC 67574 |
Lilly 37231 |
NSC67574 |
Leurocristine sulfate (1:1) (salt) |
NSC-67574 |
Alkaloid extracted from Vinca rosea Linn |
CHEBI:79401 |
MLS002702994 |
Leurocristine, sulfate (1:1) (salt) |
Oncovin (Lilly) |
Vincasar (TN) |
Marqibo (TN) |
Oncovin (TN) |
Vincrex (TN) |
Vincristine, sulfate |
Leurocristine, sulfate |
rel-Vincristine Sulfate |
SCHEMBL3710 |
Leurocristine sulfate (1:1) |
CHEMBL501867 |
DTXSID8044331 |
LILLY-37231 |
Vincristine sulfate (JP17/USP) |
HMS3414L13 |
HMS3678L11 |
MFCD08706469 |
AKOS015895862 |
AB0105888 |
LCR |
VCR |
D02197 |
068V782 |
A936684 |
1217704-93-2 |
methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((3S,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano1azacycloundecino5,4-bindol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino8,1-cdcarbazole-5-carboxylate sulfate |
Experimental Data
Vincristine sulfate
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 50.43 | 53 | 5.098 | S | MALES | 33008901 | Active | ||||
| Drosophila melanogaster | 20 | umol/L | 61.06 | 55.95 | -8.364 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 17.02 | 16.28 | -4.317 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 33 | umol/L | 12 | S | N2 | 33683565 | Active | ||||||
| Drosophila melanogaster | 20 | umol/L | 48.86 | 47.16 | -3.484 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 44.01 | 49.63 | 12.76 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 88 | umol/L | 12 | S | N2 | 24134630 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | 16 | 15.49 | -3.179 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
Vincristine sulfate
Statistics Data
Vincristine sulfate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 12 | 3 | 4 | |
| Drosophila melanogaster | 12.76 | 1 | 4 |
Statistics Data Visualization
Vincristine sulfate
