rosiptor acetate (CHEBI:756439)

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CHEBI:756439 - rosiptor acetate

Formula	C2H4O2.C20H35NO2
Net Charge	0
Average Mass	381.557
Monoisotopic Mass	381.28791
SMILES	CC(=O)O.[H][C@@]1(CN)[C@@]([H])([C@@]2(C)CC[C@H](O)C[C@@H]2CO)CC[C@]2(C)C(=C)CC[C@@]12[H]
InChI	InChI=1S/C20H35NO2.C2H4O2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22;1-2(3)4/h14-18,22-23H,1,4-12,21H2,2-3H3;1H3,(H,3,4)/t14-,15+,16+,17+,18+,19-,20+;/m1./s1
InChIKey	CQIBMEIJDDUKHP-BAHZVNHDSA-N

ChEBI Ontology

Outgoing Relation(s)
	rosiptor acetate (CHEBI:756439) is a cyclohexanols (CHEBI:23480)

Synonyms	Source
AQX-1125 acetate	ChEMBL
Rosiptor acetate	ChEMBL