Preferred Name |
Procaine |
|
Synonyms |
2-(diethylamino)ethyl 4-aminobenzoate Procaine 4-aminobenzoic acid 2-diethylaminoethyl ester beta-(diethylamino)ethyl p-aminobenzoate p-Aminobenzoic acid 2-diethylaminoethyl ester beta-(diethylamino)ethyl 4-aminobenzoate 2-Diethylaminoethyl p-aminobenzoate Vitamin H3 novocaine procaina procaine procainum |
|
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:23600203 LINCS:LSM-5396 PMID:23718080 PMID:24005047 PMID:12941824 CAS:59-46-1 PMID:19669330 KEGG:D08422 DrugBank:DB00721 Drug_Central:2271 PMID:15687733 Wikipedia:Procaine PMID:23254173 HMDB:HMDB0014859 Beilstein:913480 PMID:19885602 PMID:6784593 Reaxys:913480 KEGG:C07375 PMID:23962059 |
|
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 functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_49110 http://purl.obolibrary.org/obo/CHEBI_36333 |
|
has_exact_synonym |
2-(diethylamino)ethyl 4-aminobenzoate Procaine |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
4-aminobenzoic acid 2-diethylaminoethyl ester beta-(diethylamino)ethyl p-aminobenzoate p-Aminobenzoic acid 2-diethylaminoethyl ester beta-(diethylamino)ethyl 4-aminobenzoate 2-Diethylaminoethyl p-aminobenzoate Vitamin H3 novocaine procaina procaine procainum |
|
has_RxCUI |
8701 |
|
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 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 |