Molecular Identity
Doripenem
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID: 73303
Doripenem is a member of carbapenems.
2D Structure
Properties
C15H24N4O6S2
Molecular Formula
420.50
Molecular Weight
g/mol
420.1137
Exact Mass
Da
-3.4
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
780
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Doripenem148016-81-3DoribaxS-4661FinibaxBHV525JOBH(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidDTXSID2046678DTXCID00266781-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)-(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4R-(3(3S*,5S*),4alpha,5beta,6beta(R*)))-doripenemum(4R,5S,6S)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)sulfanyl)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid(4R,5S,6S)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-3-((3S,5S)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)sulfanyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Doripenem
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