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loading...| Preferred Name |
penbutolol sulfate |
|
| Synonyms |
Penbutolol sulfate Levatol (TN) |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7955 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:38363-32-5 KEGG:D00602 |
|
| formula |
C36H60N2O8S 2C18H29NO2.H2O4S |
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| has functional parent | ||
| has role | ||
| has_exact_synonym |
Penbutolol sulfate |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Levatol (TN) |
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| id |
CHEBI:7955 |
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| in_subset | ||
| inchi |
InChI=1S/2C18H29NO2.H2O4S/c2*1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h2*6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t2*15-;/m00./s1 |
|
| inchikey |
FEDSNBHHWZEYTP-ZFQYHYQMSA-N |
|
| label |
penbutolol sulfate |
|
| mass |
680.938 |
|
| monoisotopicmass |
680.40704 |
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| notation |
CHEBI:7955 |
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| prefLabel |
penbutolol sulfate |
|
| smiles |
S(O)(O)(=O)=O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O |
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| treeView | ||
| subClassOf |
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