Doripenem

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Properties Simple | Detailed

Formula C15H24N4O6S2
IUPAC Name (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
Molecular Mass 420.504 g·mol−1
Heat of Formation -891.1 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 456.7 Å 3
Surface Area 370.49 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s)-6-(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-(1-hydroxyethyl)-4-methyl-7-oxo-3-[[(3s,5s)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • 1-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)-
  • 1-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*)))-
  • d03895
  • doripenem (usan)
  • s 4661
CAS Number(s)
  • 148016-81-3
InChIKey AVAACINZEOAHHE-VFZPANTDSA-N
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