PENICILLIN G BENZATHINE


Trade Names	BICILLIN BICILLIN L-A PERMAPEN
Synonyms	Benzacillin Benzapen Benzathin penicillin g Benzathine benzylpenicillin Benzathine penicillin Benzathini benzylpenicillinum Benzethacil Benzilpenicillina benzatinica Benzylpenicillin benzathine Benzylpenicillin benzathine hydrate Bica-penicillin Bicillin Bicillin l-a Bicillin l-a tubex Cillenta Debecillin Duropenin Extencilline Lentocillin Leomypen Longacilina Longicil Moldamin Neolin Pen-di-ben Penadur Penadur 6-3-3 Pendepon Penditan Penicillin g benzathine Penidural Penidural la Penidure Permapen Retarpen Vicin Wycillina
Status
Molecule Category	Salt-form
UNII	RIT82F58GK
EPA CompTox	DTXSID00194317


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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/c21-16(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;;;;/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;41H2/t211-,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

Bioactivity

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

Cross References

Resources	Reference
ChEBI	53600
ChEMBL	CHEMBL3989515
FDA SRS	RIT82F58GK
Guide to Pharmacology	4796
KEGG	C05551
PDB	PNN
PubChem	656811
SureChEMBL	SCHEMBL2457930
ZINC	ZINC03871701

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).