PENICILLIN G BENZATHINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: Parent
UNII: RIT82F58GK

Structure
InChI Key JTFXYBGKLCCFSP-LQDWTQKMSA-N
Smile CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
InChI
InChI=1S/C16H18N2O4S.C16H20N2/c1-16(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/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t11-,12+,14-;/m1./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

Pharmacology

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

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Yaws 3 D015001 ClinicalTrials
Syphilis 3 D013587 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Rheumatic Heart Disease 2 D012214 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
23.86
Injury, poisoning and procedural complications
19.16
Immune system disorders
13.2
Nervous system disorders
11.17
Skin and subcutaneous tissue disorders
5.46
Musculoskeletal and connective tissue disorders
4.44
Vascular disorders
3.81
Psychiatric disorders
3.43
Eye disorders
2.79
Respiratory, thoracic and mediastinal disorders
2.66
Infections and infestations
2.16
Gastrointestinal disorders
2.03
Product issues
2.03

Cross References

Resources Reference
ChEBI 53600
ChEMBL CHEMBL3989515
EPA CompTox DTXSID00194317
FDA SRS RIT82F58GK
Guide to Pharmacology 4796
KEGG C05551
PDB PNN
PubChem 656811
SureChEMBL SCHEMBL2457930
ZINC ZINC03871701
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