Doxycycline - Small Molecule (ID:10556-116)
| HMS LINCS ID: |
10556-116
|
| Name: | Doxycycline |
| Alternative Names: | Doxytetracycline; Monodox; Oracea; Vibramycin |
| LINCS ID: | |
| PubChem CID: | 54671203 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 444.15 |
| InChi: | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 |
| InChi Key: | SGKRLCUYIXIAHR-AKNGSSGZSA-N |
| SMILES: | C[C@@H]1[C@]2([C@@H]([C@]3([C@@H](C(C(C(N)=O)=C([C@]3(C(C2=C(C4=C1C=CC=C4O)O)=O)O)O)=O)N(C)C)[H])O)[H] |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-08-09 |
Batch Information for HMSL10556-116-1:
| HMS LINCS Batch ID: | 10556-116-1 |
| Provider: | Sigma Aldrich |
| Provider Batch ID: | 065M4048V |
| Salt: | 116 |
| Molecular Formula: | C22H24N2O8·HCl·0.5H2O·0.5C2H6O |
| Molecular Weight: | 512.94 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2018-08-09 |
| Most Recent Update: | 2018-08-09 |
HMS QC Testing Events for HMSL10556-116-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 06/02/2016 | PASS | HMSL10556-116-1-LCMS.pdf |