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Biological and Environmental Research Ontology
| Preferred Name | nafcillin | |
| Synonyms |
(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2-ethoxy-1-naphthalenyl)penicillin (2-ethoxy-1-naphthyl)penicillin (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(2-ethoxy-1-naphthamido)penicillanic acid nafcillinum nafcilina nafcillin nafcilline naphcillin 6beta-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid |
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| Definitions |
A penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7447 |
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| alternative term |
(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2-ethoxy-1-naphthalenyl)penicillin (2-ethoxy-1-naphthyl)penicillin (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(2-ethoxy-1-naphthamido)penicillanic acid nafcillinum nafcilina nafcillin nafcilline naphcillin 6beta-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid
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| bearer of | ||
| charge |
0
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| database_cross_reference |
Patent:GB880400 Beilstein:5405727 Reaxys:5405727 Patent:US3157639 DrugBank:DB00607 LINCS:LSM-2402 Drug_Central:1869 PMID:29017833 KEGG:D08242 KEGG:C07250 Wikipedia:Nafcillin Patent:US3506645 CAS:147-52-4
|
|
| definition |
A penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group.
|
|
| formula |
C21H22N2O5S
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|
| has_alternative_id |
CHEBI:44256
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|
| has_exact_synonym |
6beta-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2-ethoxy-1-naphthalenyl)penicillin (2-ethoxy-1-naphthyl)penicillin (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(2-ethoxy-1-naphthamido)penicillanic acid nafcillinum nafcilina nafcillin nafcilline naphcillin
|
|
| id |
CHEBI:7447
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|
| in_subset | ||
| inchi |
InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
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|
| inchikey |
GPXLMGHLHQJAGZ-JTDSTZFVSA-N
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| is_conjugate_acid_of | ||
| label |
nafcillin
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|
| mass |
414.47500
|
|
| monoisotopicmass |
414.12494
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|
| notation |
CHEBI:7447
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|
| prefLabel |
nafcillin
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|
| RO_0000087 | ||
| smiles |
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O
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| subClassOf |
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