CARBENICILLIN PHENYL

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Synonyms
Status
Molecule Category Free-form
UNII 9UU4XDB74X
EPA CompTox DTXSID10891704

Structure

InChI Key NZDASSHFKWDBBU-KVMCETHSSA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22N2O6S
Molecular Weight 454.5
AlogP 2.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 113.01
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Related Entries

Cross References

Resources Reference
ChEBI 3414
ChEMBL CHEMBL1095283
DrugBank DB13506
DrugCentral 507
FDA SRS 9UU4XDB74X
KEGG C11752
PubChem 33672
SureChEMBL SCHEMBL150615
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