CHEBI:131502 - 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

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ChEBI Name 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
ChEBI ID CHEBI:131502
Definition A imidazolidine-2,4-dione that is 7-(2,5-dioxoimidazolidin-4-yl)heptanoic acid in which the imidazoline ring as substituted at position 3 by a 3-(3-cyclohexyl-3-hydroxypropyl) group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H32N2O5
Net Charge 0
Average Mass 368.469
Monoisotopic Mass 368.23112
InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)
InChIKey ZIDQIOZJEJFMOH-UHFFFAOYSA-N
SMILES C(CN1C(NC(C1CCCCCCC(O)=O)=O)=O)C(C2CCCCC2)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502) is a imidazolidine-2,4-dione (CHEBI:24628)
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502) is a monocarboxylic acid (CHEBI:25384)
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502) is a secondary alcohol (CHEBI:35681)
Incoming (3R,4S)-BW 245C (CHEBI:131500) is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502)
(3S,4R)-BW 245C (CHEBI:131501) is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid (CHEBI:131502)
IUPAC Name
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Synonym Source
3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid ChemIDplus
Registry Numbers Types Sources
75693-75-3 CAS Registry Number ChemIDplus
964618 Reaxys Registry Number Reaxys
Last Modified
08 March 2016
General Comment
2016-03-08 This is the entry for the compound with unspecified stereochemistry. There are separate entries for the individual enantiomers [(3R,4S)-BW 245C and (3S,4R)-BW 245C] and for the racemate.