ERTAPENEM SODIUM

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Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2T90KE67L0
Parent Compound: ERTAPENEM

Structure
InChI Key ZXNAQFZBWUNWJM-HRXMHBOMSA-M
Smile C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]
InChI
InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N3NaO7S
Molecular Weight 497.51
AlogP 0.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 156.27
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 56200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 4 D007239 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Sepsis 3 D018805 ClinicalTrials
Diabetic Foot 3 D017719 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
22.0
Psychiatric disorders
15.24
General disorders and administration site conditions
11.8
Injury, poisoning and procedural complications
8.34
Skin and subcutaneous tissue disorders
5.14
Gastrointestinal disorders
4.7
Infections and infestations
4.47
Vascular disorders
3.33
Cardiac disorders
3.2
Musculoskeletal and connective tissue disorders
3.2
Respiratory, thoracic and mediastinal disorders
2.74
Investigations
2.56
Immune system disorders
2.25
Blood and lymphatic system disorders
2.22

Cross References

Resources Reference
ChEBI 60070
ChEMBL CHEMBL1232
FDA SRS 2T90KE67L0
PubChem 11145493
SureChEMBL SCHEMBL102761
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