ERAVACYCLINE DIHYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Salt
UNII: WK1NMH89VJ
Parent Compound: ERAVACYCLINE

Structure
InChI Key JYCNMRVZELJVAW-RZVFYPHASA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
26.47
Respiratory, thoracic and mediastinal disorders
17.65
General disorders and administration site conditions
11.76
Vascular disorders
11.76
Cardiac disorders
8.82
Gastrointestinal disorders
5.88
Nervous system disorders
5.88
Hepatobiliary disorders
2.94
Immune system disorders
2.94
Investigations
2.94
Musculoskeletal and connective tissue disorders
2.94

Cross References

Resources Reference
ChEMBL CHEMBL2219414
FDA SRS WK1NMH89VJ
PubChem 56951485
SureChEMBL SCHEMBL22127657
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