BACAMPICILLIN

Search structure
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01CA06
UNII: 8GM2J22278

Structure
InChI Key PFOLLRNADZZWEX-FFGRCDKISA-N
Smile CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
InChI
InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27N3O7S
Molecular Weight 465.53
AlogP 1.3
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 137.26
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 2968
ChEMBL CHEMBL1583
DrugBank DB01602
DrugCentral 280
EPA CompTox DTXSID2048030
FDA SRS 8GM2J22278
Human Metabolome Database HMDB0015540
KEGG C08122
PharmGKB PA164745461
PubChem 441397
SureChEMBL SCHEMBL33818
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