PENICILLIN G BENZATHINE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII RIT82F58GK
EPA CompTox DTXSID00194317

Structure

InChI Key WIDKTXGNSOORHA-CJHXQPGBSA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O.O.c1ccc(CNCCNCc2ccccc2)cc1
InChI
InChI=1S/2C16H18N2O4S.C16H20N2.4H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;4*1H2/t2*11-,12+,14-;;;;;/m11...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H64N6O12S2
Molecular Weight 981.2
AlogP 0.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed PubMed PubMed

Cross References

Resources Reference
CAS NUMBER 41372-02-5
ChEBI 53600
ChEMBL CHEMBL3989515
FDA SRS RIT82F58GK
Guide to Pharmacology 4796
KEGG C05551
PDB PNN
PubChem 656811
SureChEMBL SCHEMBL2457930
ZINC ZINC03871701
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