EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88303 - (S)-lorglumide sodium

ChEBI IDCHEBI:88303
ChEBI Name(S)-lorglumide sodium
Stars
ASCII Name(S)-lorglumide sodium
DefinitionAn organic sodium salt obtained by formal condensation of N2-(3,4-dichlorobenzoyl)-N,N-dipentyl-L-α-glutamine with one equivalent of sodium hydroxide. The racemate is lorglumide sodium, a CCK antagonist.
Last Modified21 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H31Cl2N2O4.Na
Net Charge0
Average Mass481.396
Monoisotopic Mass480.15586
SMILESCCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+]
InChIInChI=1S/C22H32Cl2N2O4.Na/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16;/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28);/q;+1/p-1/t19-;/m0./s1
InChIKeyJCNPYMDDOUQTBK-FYZYNONXSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-lorglumide sodium (CHEBI:88303) has part (S)-lorglumide(1−) (CHEBI:88310)
(S)-lorglumide sodium (CHEBI:88303) is a organic sodium salt (CHEBI:38700)
(S)-lorglumide sodium (CHEBI:88303) is enantiomer of (R)-lorglumide sodium (CHEBI:88304)
Incoming Relation(s)
lorglumide sodium (CHEBI:88302) has part (S)-lorglumide sodium (CHEBI:88303)
(R)-lorglumide sodium (CHEBI:88304) is enantiomer of (S)-lorglumide sodium (CHEBI:88303)
IUPAC Name 
sodium 4-{[(2S)-4-carboxylato-1-(dipentylamino)-1-oxobutan-2-yl]carbamoyl}-1,2-dichlorobenzene