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clemastine fumarate

PropertiesImageOccurences in reactions
MNX_IDMNXM1105001Image of MNXM1105001
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC25H30ClNO5
charge0
mass459.18125
referencechebi:3739
InChIKeyPMGQWSIVQFOFOQ-YKVZVUFRSA-N
InChIInChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1
SMILESCN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:3739
chebi:3739
clemastine fumarate
(+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine fumarate (1:1)
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine (2E)-but-2-enedioate
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidinium (2E)-3-carboxyprop-2-enoate
clemastine hydrogen fumarate
kegg.drug:D00666
keggD:D00666
Clemastine fumarate (JP18/USP)
Tavist (TN)
keggD:M_D00666 secondary/obsolete/fantasy identifier