ERAVACYCLINE DIHYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII WK1NMH89VJ
Parent Compound: ERAVACYCLINE

Structure

InChI Key JYCNMRVZELJVAW-RZVFYPHASA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl
InChI
InChI=1S/C27H31FN4O8.2ClH/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39;;/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33);2*1H/t11-,13-,20-,27-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H33Cl2FN4O8
Molecular Weight 631.49
AlogP 0.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 193.73
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 CHEMBL2219414
FDA SRS WK1NMH89VJ
PubChem 56951485
SureChEMBL SCHEMBL22127657
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