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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | perindopril erbumine | |
| Synonyms |
(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1) (2S,3aS,7aS)-1-{(S)-2-[(S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydroindole-2-carboxylic acid--1,1-dimethylethanamine (1/1) Aceon Perindopril erbumine (2S,3aS,7aS)-1-{(2S)-2-[(1S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydro-1H-indole-2-carboxylic acid--2-methylpropan-2-amine (1/1) |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_8025 |
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| alternative term |
(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1) (2S,3aS,7aS)-1-{(S)-2-[(S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydroindole-2-carboxylic acid--1,1-dimethylethanamine (1/1) Aceon Perindopril erbumine (2S,3aS,7aS)-1-{(2S)-2-[(1S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydro-1H-indole-2-carboxylic acid--2-methylpropan-2-amine (1/1)
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| bearer of | ||
| charge |
0
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| database_cross_reference |
DrugBank:DB00790 CAS:107133-36-8 KEGG:C07707 KEGG:D00624
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| formula |
C19H32N2O5.C4H11N C23H43N3O5
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| has part | ||
| has_exact_synonym |
Perindopril erbumine (2S,3aS,7aS)-1-{(2S)-2-[(1S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydro-1H-indole-2-carboxylic acid--2-methylpropan-2-amine (1/1)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1) (2S,3aS,7aS)-1-{(S)-2-[(S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydroindole-2-carboxylic acid--1,1-dimethylethanamine (1/1) Aceon
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|
| id |
CHEBI:8025
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| in_subset | ||
| inchi |
InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1
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| inchikey |
IYNMDWMQHSMDDE-MHXJNQAMSA-N
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| label |
perindopril erbumine
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| mass |
441.60460
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| monoisotopicmass |
441.32027
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| notation |
CHEBI:8025
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| overlaps | ||
| prefLabel |
perindopril erbumine
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| RO_0000087 | ||
| smiles |
CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC
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| subClassOf |
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