MetaADEDB 2.0 @ LMMD
benzylpenicilloic acid
(HCYWNSXLUZRKJX-VYAYZGMFSA-N)
Structure
SMILES
O=C(Cc1ccccc1)N[C@@H](C1N[C@H](C(S1)(C)C)C(=O)O)C(=O)O
Molecular Formula:
C16H20N2O5S
Molecular Weight:
352.405
Log P:
1.4125
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
4
TPSA:
141.03
CAS Number(s):
13057-98-2
Synonym(s)
1.
benzylpenicilloic acid
2.
(2R,4S)-2-((R)-Carboxy((phenylacetyl)amino)methyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
3.
4-carboxy-5,5-dimethyl-alpha-((phenylacetyl)amino)-2-thiazolidineacetic acid
4.
benzylpenicilloic acid, disodium salt, (2R-(2alpha(R*),4beta))-isomer
5.
benzylpenicilloic acid, monosodium salt
6.
benzylpenicilloic acid, sodium salt, (2R-(2alpha(R*),4beta))-isomer
7.
sodium benzylpenicilloate
External Link(s)
MeSHC030990
PubChem Compound121494077
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact13761469CTD
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