loading...| Preferred Name |
cetraxate |
| Synonyms |
trans-4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acid 3-[4-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid 3-[4-({[(1r,4r)-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid Cetraxate p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylate |
| Definitions |
A cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_17340 |
| charge |
0 |
| database_cross_reference |
PMID:1003703 PMID:17323190 PMID:12436309 KEGG:D07663 Wikipedia:Cetraxate PMID:4029808 Beilstein:2820321 PMID:3367546 PMID:3435599 PMID:8871449 Drug_Central:582 PMID:8350665 PMID:15099451 Reaxys:2820321 CAS:34675-84-8 PMID:8020637 KEGG:C01564 |
| definition |
A cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. |
| formula |
C17H23NO4 |
| has role | |
| has_alternative_id |
CHEBI:13957 CHEBI:3563 CHEBI:23082 |
| has_exact_synonym |
3-[4-({[(1r,4r)-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid Cetraxate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
trans-4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acid 3-[4-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylate |
| id |
CHEBI:17340 |
| in_subset | |
| inchi |
InChI=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- |
| inchikey |
FHRSHSOEWXUORL-HDJSIYSDSA-N |
| is tautomer of | |
| label |
cetraxate |
| mass |
305.36886 |
| monoisotopicmass |
305.16271 |
| notation |
CHEBI:17340 |
| prefLabel |
cetraxate |
| smiles |
NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(O)=O)cc1 |
| treeView | |
| subClassOf |