CHEBI:88303 - (S)-lorglumide sodium

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ChEBI Name (S)-lorglumide sodium
ChEBI ID CHEBI:88303
ChEBI ASCII Name (S)-lorglumide sodium
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H31Cl2N2NaO4
Net Charge 0
Average Mass 481.389
Monoisotopic Mass 480.15586
InChI InChI=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
InChIKey JCNPYMDDOUQTBK-FYZYNONXSA-M
SMILES ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+]
ChEBI Ontology
Outgoing (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 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
Last Modified
21 October 2015