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