OMADACYCLINE TOSYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5658Y89YCD
Parent Compound: OMADACYCLINE

Structure

InChI Key SETFNHZTVGTBHC-XGLFQKEBSA-N
Smiles CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1
InChI
InChI=1S/C29H40N4O7.C7H8O3S/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;1-6-2-4-7(5-3-6)11(8,9)10/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39);2-5H,1H3,(H,8,9,10)/t13-,16-,21-,29-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H48N4O10S
Molecular Weight 728.87
AlogP 1.32
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 176.66
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL2103854
FDA SRS 5658Y89YCD
PubChem 54746485
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