loading...| Preferred Name |
procaine |
|
| Synonyms |
2-(diethylamino)ethyl 4-aminobenzoate Procaine beta-(diethylamino)ethyl 4-aminobenzoate procaine beta-(diethylamino)ethyl p-aminobenzoate procainum procaina Vitamin H3 p-Aminobenzoic acid 2-diethylaminoethyl ester 2-Diethylaminoethyl p-aminobenzoate 4-aminobenzoic acid 2-diethylaminoethyl ester novocaine |
|
| Definitions |
A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8430 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19669330 PMID:15687733 DrugBank:DB00721 PMID:23600203 CAS:59-46-1 PMID:24005047 PMID:6784593 PMID:19885602 PMID:23254173 KEGG:D08422 PMID:23718080 Beilstein:913480 PMID:12941824 KEGG:C07375 PMID:23962059 Drug_Central:2271 LINCS:LSM-5396 Reaxys:913480 HMDB:HMDB0014859 Wikipedia:Procaine |
|
| definition |
A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol. |
|
| formula |
C13H20N2O2 |
|
| has exact synonym |
2-(diethylamino)ethyl 4-aminobenzoate Procaine |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_49110 http://purl.obolibrary.org/obo/CHEBI_36333 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
beta-(diethylamino)ethyl 4-aminobenzoate procaine beta-(diethylamino)ethyl p-aminobenzoate procainum procaina Vitamin H3 p-Aminobenzoic acid 2-diethylaminoethyl ester 2-Diethylaminoethyl p-aminobenzoate 4-aminobenzoic acid 2-diethylaminoethyl ester novocaine |
|
| id |
CHEBI:8430 |
|
| in_subset | ||
| inchi |
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3 |
|
| inchikey |
MFDFERRIHVXMIY-UHFFFAOYSA-N |
|
| is conjugate base of | ||
| label |
procaine |
|
| mass |
236.31010 |
|
| monoisotopicmass |
236.15248 |
|
| notation |
CHEBI:8430 |
|
| prefLabel |
procaine |
|
| smiles |
CCN(CC)CCOC(=O)c1ccc(N)cc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36054 |