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Chemical Entities of Biological Interest Ontology
| Preferred Name | saxagliptin | |
| Synonyms |
BMS-477118 (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile BMS 477118 saxagliptin (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile |
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| Definitions |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-amino(3-hydroxyadamantan-1-yl)acetic acid with the amino group of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile. Used in its monohydrate form for the treatment of Type II diabetes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_71272 |
|
| charge |
0
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|
| database_cross_reference |
Drug_Central:4114 PMID:22823746 PMID:22349123 HMDB:HMDB0015634 PMID:22132773 CAS:361442-04-8 KEGG:D08996 PMID:22221000 PMID:22932707 DrugBank:DB06335 PMID:22564773 PMID:22475049 PMID:22943617 PMID:22334441 PMID:22248301 Patent:WO2011125011 Reaxys:10201614 PMID:22192246 Wikipedia:Saxagliptin PMID:22066527 PMID:22496391 PMID:22232748 PMID:22313154 PMID:22098472 PMID:22828124 PMID:22081481 Patent:US2005222242 Patent:US2007172525 PMID:22668067 Patent:WO2007078726 PMID:23137182 PMID:22313172 PMID:22149373 Patent:WO2009022009 PMID:22292415 PMID:22001114 PMID:22776778
|
|
| definition |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-amino(3-hydroxyadamantan-1-yl)acetic acid with the amino group of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile. Used in its monohydrate form for the treatment of Type II diabetes.
|
|
| formula |
C18H25N3O2
|
|
| has role | ||
| has_exact_synonym |
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
BMS-477118 (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile BMS 477118 saxagliptin
|
|
| id |
CHEBI:71272
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
|
|
| inchikey |
QGJUIPDUBHWZPV-SGTAVMJGSA-N
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|
| label |
saxagliptin
|
|
| mass |
315.41000
|
|
| monoisotopicmass |
315.19468
|
|
| notation |
CHEBI:71272
|
|
| prefLabel |
saxagliptin
|
|
| smiles |
[H][C@]12C[C@@H](C#N)N(C(=O)[C@@H](N)C34CC5CC(CC(O)(C5)C3)C4)[C@@]1([H])C2
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38295 http://purl.obolibrary.org/obo/CHEBI_18379 http://purl.obolibrary.org/obo/CHEBI_29347 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38295 http://purl.obolibrary.org/obo/CHEBI_18379 http://purl.obolibrary.org/obo/CHEBI_29347 |
| Delete | Subject | Author | Type | Created |
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