2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid
(2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
Molecular Identity
2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid
(2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
PubChem CID: 10066813
2D Structure
Properties
C16H18ClNO4S
Molecular Formula
355.80
Molecular Weight
g/mol
355.0645
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
67.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
485
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC(C(=CC(=O)O)C2)SIsomeric SMILES
SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC(/C(=C\C(=O)O)/C2)SSynonyms(20)
1148015-30-86Z681APD511-Piperidineacetic acid, 3-(carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, (alphaS,3Z)-2-(1-(1-(2-CHLOROPHENYL)-2-METHOXY-2-OXOETHYL)-4-SULFANYL-3-PIPERIDINYLIDENE) ACETIC ACIDRefChem:1060628Clopidogrel active metabolite(Z)-2-(1-((S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acidclopidogrel (active metabolite)1147350-77-3Clopidrogrel active metaboliteUNII-6Z681APD51GTPL1772SCHEMBL100526172-(1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acidAT43879
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid
Loading structure...
Drug Network
Trials and conditions connected to 2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid
Loading drug network...