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CHEBI:63935 - cyclazosin hydrochloride

ChEBI IDCHEBI:63935
ChEBI Namecyclazosin hydrochloride
Stars
DefinitionA hydrochloride composed of equimolar amounts of cyclazosin and hydrogen chloride.
Last Modified20 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC23H27N5O4.HCl
Net Charge0
Average Mass473.961
Monoisotopic Mass473.18298
SMILESCl.[H][C@@]12CCCC[C@]1([H])N(C(=O)c1ccco1)CCN2c1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H/t16-,17+;/m0./s1
InChIKeySKDIDWRQDBIQBS-MCJVGQIASA-N
Roles Classification
Biological Role:
alpha1B-adrenoceptor antagonist  An antagonist at the α1B-adrenoceptor.
ChEBI Ontology
Outgoing Relation(s)
cyclazosin hydrochloride (CHEBI:63935) has part cyclazosin (CHEBI:63937)
cyclazosin hydrochloride (CHEBI:63935) has role α1B-adrenoceptor antagonist (CHEBI:63936)
cyclazosin hydrochloride (CHEBI:63935) is a hydrochloride (CHEBI:36807)
IUPAC Name 
[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)octahydroquinoxalin-1(2H)-yl](2-furyl)methanone hydrochloride
Registry NumbersSources
Reaxys:10227786Reaxys