AMPICILLIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: Salt
UNII: JFN36L5S8K
Parent Compound: AMPICILLIN

Structure
InChI Key KLOHDWPABZXLGI-YWUHCJSESA-M
Smile CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
InChI
InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18N3NaO4S
Molecular Weight 371.39
AlogP 0.32
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
Pneumonia, Bacterial 3 D018410 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
23.35
Skin and subcutaneous tissue disorders
11.71
General disorders and administration site conditions
9.49
Infections and infestations
9.0
Pregnancy, puerperium and perinatal conditions
6.22
Respiratory, thoracic and mediastinal disorders
6.11
Injury, poisoning and procedural complications
5.71
Gastrointestinal disorders
4.39
Nervous system disorders
3.8
Vascular disorders
3.51
Investigations
2.25
Cardiac disorders
2.07
Renal and urinary disorders
2.04
Metabolism and nutrition disorders
2.01

Cross References

Resources Reference
ChEBI 34535
ChEMBL CHEMBL1200758
FDA SRS JFN36L5S8K
KEGG C13652
PubChem 23663979
SureChEMBL SCHEMBL40521
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