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CHEBI:190403 - 3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+)

ChEBI IDCHEBI:190403
ChEBI Name3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+)
Stars
ASCII Name3beta-(2-diethylaminoethoxy)androst-5-en-17-one(1+)
DefinitionA tertiary ammonium ion that is the conjugate acid of 3β-(2-diethylaminoethoxy)androst-5-en-17-one arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3.
Last Modified23 March 2022
SubmitterAdnan
DownloadsMolfile
FormulaC25H42NO2
Net Charge+1
Average Mass388.616
Monoisotopic Mass388.32101
SMILES[H][C@@]12CC=C3C[C@@H](OCC[NH+](CC)CC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/p+1/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKeyDMZCCFMMPHJWQY-BKWLFHPQSA-O
ChEBI Ontology
Outgoing Relation(s)
3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+) (CHEBI:190403) is a tertiary ammonium ion (CHEBI:137982)
3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+) (CHEBI:190403) is conjugate acid of 3β-(2-diethylaminoethoxy)androst-5-en-17-one (CHEBI:190402)
Incoming Relation(s)
3β-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride (CHEBI:190404) has part 3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+) (CHEBI:190403)
3β-(2-diethylaminoethoxy)androst-5-en-17-one (CHEBI:190402) is conjugate base of 3β-(2-diethylaminoethoxy)androst-5-en-17-one(1+) (CHEBI:190403)
IUPAC Name 
N,N-diethyl-2-[(17-oxoandrost-5-en-3β-yl)oxy]ethanaminium
Synonym  Source
3β-(2-diethylaminoethoxy)androst-5-en-17-one cationChEBI