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loading...| Preferred Name |
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide |
|
| Synonyms |
TAK-375 rozerem |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_109549 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:196597-26-9 HMDB:HMDB0015115 LINCS:LSM-20965 Drug_Central:2355 |
|
| formula |
C16H21NO2 |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
TAK-375 rozerem |
|
| id |
CHEBI:109549 |
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| in_subset | ||
| inchi |
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 |
|
| inchikey |
YLXDSYKOBKBWJQ-LBPRGKRZSA-N |
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| label |
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide |
|
| mass |
259.344 |
|
| monoisotopicmass |
259.15723 |
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| notation |
CHEBI:109549 |
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| prefLabel |
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide |
|
| smiles |
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3 |
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| treeView | ||
| subClassOf |
Create mapping
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_109549 | FIDEO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_109549 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_109549 | BERO | LOOM |