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loading...| Preferred Name |
cefacetrile |
|
| Synonyms |
cephacetrile cephacetril cefacetrile sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135437 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0015484 Drug_Central:524 CAS:10206-21-0 |
|
| formula |
C13H13N3O6S |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
cephacetrile cephacetril cefacetrile sodium |
|
| id |
CHEBI:135437 |
|
| in_subset | ||
| inchi |
InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1 |
|
| inchikey |
RRYMAQUWDLIUPV-BXKDBHETSA-N |
|
| label |
cefacetrile |
|
| mass |
339.325 |
|
| monoisotopicmass |
339.05251 |
|
| notation |
CHEBI:135437 |
|
| prefLabel |
cefacetrile |
|
| smiles |
C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CC#N)=O)(SCC1COC(C)=O)[H] |
|
| treeView | ||
| subClassOf |
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