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cetraxate

PropertiesImageOccurences in reactions
MNX_IDMNXM4517Image of MNXM4517
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC17H23NO4
charge0
mass305.16271
referencechebi:58112
InChIKeyFHRSHSOEWXUORL-HDJSIYSDSA-N
InChIInChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-
SMILES[NH3+]C[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)[O-])cc2)CC1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58112
chebi:58112 		cetraxate
3-[4-({[trans-4-(azaniumylmethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoate
cetraxate zwitterion
CHEBI:94638
chebi:94638 		3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid
kegg.compound:C01564
keggC:C01564 		Cetraxate
kegg.drug:D07663
keggD:D07663 		Cetraxate (INN)
seed.compound:cpd01102
seedM:cpd01102 		Cetraxate
cetraxate
metacyc.compound:CETRAXATE
metacycM:CETRAXATE 		cetraxate
CHEBI:17340
chebi:17340 		cetraxate
3-[4-({[(1r,4r)-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
3-[4-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
Cetraxate
p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylate
trans-4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acid
chebi:13957
chebi:23082
chebi:3563
keggC:M_C01564
keggD:M_D07663
seedM:M_cpd01102 		secondary/obsolete/fantasy identifier