Docetaxel - Small Molecule (ID:10247-101)
| HMS LINCS ID: |
10247-101
|
| Name: | Docetaxel |
| Alternative Names: | Taxotere |
| LINCS ID: | LSM-6360 |
| PubChem CID: | 148124 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 807.35 |
| InChi: | InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 |
| InChi Key: | ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
| SMILES: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Batch Information for HMSL10247-101-1:
| HMS LINCS Batch ID: | 10247-101-1 |
| Provider: | LC Laboratories |
| Provider Batch ID: | |
| Salt: | 101 |
| Molecular Formula: | C43H53NO14 |
| Molecular Weight: | 807.88 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2012-11-14 |
| Most Recent Update: | 2016-12-02 |