MEZLOCILLIN

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Synonyms
Status
Molecule Category Free-form
ATC J01CA10
UNII OH2O403D1G
EPA CompTox DTXSID1023316

Structure

InChI Key YPBATNHYBCGSSN-VWPFQQQWSA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N5O8S2
Molecular Weight 539.59
AlogP -0.23
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 173.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 36.0

Related Entries

Cross References

Resources Reference
ChEBI 6919
ChEMBL CHEMBL1731
DrugBank DB00948
DrugCentral 1795
FDA SRS OH2O403D1G
Human Metabolome Database HMDB0015083
KEGG C07221
PharmGKB PA164750540
PubChem 656511
SureChEMBL SCHEMBL34075
ZINC ZINC000003831120
CONTENTS