| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H19N2O3S.Na |
| Molecular Weight | 330.378 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1(C)S[C@H](CNC(=O)CC2=CC=CC=C2)N[C@H]1C([O-])=O
InChI
InChIKey=RCUFRLJZEVIUBP-KZCZEQIWSA-M
InChI=1S/C15H20N2O3S.Na/c1-15(2)13(14(19)20)17-12(21-15)9-16-11(18)8-10-6-4-3-5-7-10;/h3-7,12-13,17H,8-9H2,1-2H3,(H,16,18)(H,19,20);/q;+1/p-1/t12-,13+;/m1./s1
| Molecular Formula | C15H19N2O3S |
| Molecular Weight | 307.388 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Benzylpenilloic acid is a metabolite of benzylpenicillin. It is produced by hydrolysis of when beta-lactam ring of benzylpenicillin. Along with some other metabolites of penicillin, benzylpenilloic acid is responsible for the allergic reaction to beta-lactam antibiotic. It is a component of a minor determinant mixture (MDM) reagent which is used to evaluate sensitivity to penicillin in the clinic.