CARBENICILLIN PHENYL SODIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 18N5JP36GY

Structure
InChI Key JXSBZDNBNJTHBJ-JPZUGYNPSA-M
Smile CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
InChI
InChI=1S/C23H22N2O6S.Na/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);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21N2NaO6S
Molecular Weight 476.49
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

Scaffolds

Cross References

Resources Reference
ChEBI 34612
ChEMBL CHEMBL2105996
EPA CompTox DTXSID40176036
FDA SRS 18N5JP36GY
KEGG C13976
PubChem 23674995
SureChEMBL SCHEMBL192220
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