nemonoxacin malate hemihydrate
chemical compound
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nemonoxacin malate hemihydrate
Summary
nemonoxacin malate hemihydrate is a group of stereoisomers[1].
Key Facts
- nemonoxacin malate hemihydrate's instance of is recorded as group of stereoisomers[2].
- nemonoxacin malate hemihydrate's CAS Registry Number is recorded as 951313-26-1[3].
- nemonoxacin malate hemihydrate's canonical SMILES is recorded as CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O.O[4].
- nemonoxacin malate hemihydrate's InChI is recorded as InChI=1S/2C20H25N3O4.2C4H6O5.H2O/c21-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26;25-2(4(8)9)1-3(6)7;/h25-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26);22,5H,1H2,(H,6,7)(H,8,9);1H2/t2*11-,12-;;;/m00.../s1[5].
- nemonoxacin malate hemihydrate's InChIKey is recorded as XNVZOGKOFKLWFQ-ABLBMNRKSA-N[6].
- nemonoxacin malate hemihydrate's chemical formula is recorded as C₄₈H₆₄N₆O₁₉[7].
- nemonoxacin malate hemihydrate's subclass of is recorded as chemical compound[8].
- nemonoxacin malate hemihydrate's UNII is recorded as Y97F3051FH[9].
- nemonoxacin malate hemihydrate's ChemSpider ID is recorded as 32701700[10].
- nemonoxacin malate hemihydrate's PubChem CID is recorded as 71587894[11].
- nemonoxacin malate hemihydrate's isomeric SMILES is recorded as C[C@H]1CC@@HN.C[C@H]1CC@@HN.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O.OC@@HN.C[C@H]1CC@@HN.C(C(C(=O)O)O">[12].
- nemonoxacin malate hemihydrate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1028.423'}[13].
- nemonoxacin malate hemihydrate's SureChEMBL ID is recorded as 30254864[14].
- nemonoxacin malate hemihydrate's DSSTox substance ID is recorded as DTXSID10241765[15].
- nemonoxacin malate hemihydrate's DSSTOX compound identifier is recorded as DTXCID40164256[16].
- nemonoxacin malate hemihydrate's UniChem compound ID is recorded as 44084126[17].