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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | bacampicillin | |
| Synonyms |
1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate bacampicilina bacampicilline bacampicillinum 1'-ethoxycarbonyloxyethyl-(6-D-alpha-aminophenylacetamido)penicillanate bacampicillin 1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate |
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| Definitions |
A penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2968 |
|
| alternative label |
1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate bacampicilina bacampicilline bacampicillinum 1'-ethoxycarbonyloxyethyl-(6-D-alpha-aminophenylacetamido)penicillanate bacampicillin 1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate
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|
| charge |
0
|
|
| database_cross_reference |
PMID:1211909 PMID:7012998 CAS:50972-17-3 KEGG:C08122 PMID:9131470 HMDB:HMDB0015540 KEGG:D07487 Drug_Central:280 Patent:US3939270 PMID:464583 Wikipedia:Bacampicillin Patent:US3873521 PMID:29017833 DrugBank:DB01602 Patent:DE2144457 Reaxys:5784318 PMID:7012993
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|
| definition |
A penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin.
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|
| formula |
C21H27N3O7S
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| has characteristic | ||
| has functional parent | ||
| has role | ||
| has_exact_synonym |
1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate bacampicilina bacampicilline bacampicillinum 1'-ethoxycarbonyloxyethyl-(6-D-alpha-aminophenylacetamido)penicillanate bacampicillin
|
|
| has_RxCUI |
18687
|
|
| id |
CHEBI:2968
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1
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|
| inchikey |
PFOLLRNADZZWEX-FFGRCDKISA-N
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|
| label |
bacampicillin
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|
| mass |
465.52110
|
|
| monoisotopicmass |
465.15697
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|
| notation |
CHEBI:2968
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|
| prefLabel |
bacampicillin
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| smiles |
[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)OC(=O)OCC
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| subClassOf |
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