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CHEBI:32017 - Pirmenol hydrochloride

ChEBI IDCHEBI:32017
ChEBI NamePirmenol hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H30N2O.H2O.HCl
Net Charge0
Average Mass392.971
Monoisotopic Mass392.22306
SMILESC[C@@H]1CCC[C@H](C)N1CCCC(O)(c1ccccc1)c1ccccn1.Cl.O
InChIInChI=1S/C22H30N2O.ClH.H2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21;;/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3;1H;1H2/t18-,19+,22?;;
InChIKeyGYTCSFJBULWQKM-RBNUEXKJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pirmenol hydrochloride (CHEBI:32017) is a benzenes (CHEBI:22712)
Pirmenol hydrochloride (CHEBI:32017) is a organic amino compound (CHEBI:50047)
Synonym  Source
Pirmenol hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01785KEGG DRUG
Registry NumbersSources
CAS:61477-94-9KEGG COMPOUND