CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_190075 http://purl.obolibrary.org/obo/CHEBI_190075 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_190075 Loading
Preferred name	o-Hydroxyfinasteride
Synonyms	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1-hydroxy-2-methylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-]quinoline-1-carboxamide

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	O=C(NC(CO)(C)C)[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@](NC(=O)C=C4)(CC3)[H])C)(CC2)[H])[H])(CC1)[H])C
obo_purl:charge	0
obo_purl:inchikey	MFUJYZCMHDCXGQ-WSBQPABSSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_50113
oboinowl_gen:hasDbXref	CAS:116285-36-0 Chemspider:18612028
skos:notation	CHEBI:190075
oboinowl_gen:hasExactSynonym	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1-hydroxy-2-methylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-]quinoline-1-carboxamide
obo_purl:mass	388.552
obo_purl:inchi	InChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
obo_purl:formula	C23H36N2O3
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:190075
rdfs:label	o-Hydroxyfinasteride
obo_purl:monoisotopicmass	388.27259
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_36834

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