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CHEBI:188145 - (2R,3R)-nemonapride(1+)

ChEBI IDCHEBI:188145
ChEBI Name(2R,3R)-nemonapride(1+)
Stars
ASCII Name(2R,3R)-nemonapride(1+)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC21H27ClN3O2
Net Charge+1
Average Mass388.919
Monoisotopic Mass388.17863
SMILESCNc1cc(OC)c(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)cc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/p+1/t14-,18-/m1/s1
InChIKeyKRVOJOCLBAAKSJ-RDTXWAMCSA-O
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-nemonapride(1+) (CHEBI:188145) is a organic molecular entity (CHEBI:50860)
(2R,3R)-nemonapride(1+) (CHEBI:188145) is conjugate acid of (2R,3R)-nemonapride (CHEBI:64219)
Incoming Relation(s)
(2R,3R)-nemonapride (CHEBI:64219) is conjugate base of (2R,3R)-nemonapride(1+) (CHEBI:188145)
UniProt Name  Source
(2R,3R)-nemonaprideUniProt