quinine acetylsalicylate
chemical compound
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Summary
quinine acetylsalicylate is a group of stereoisomers[1].
Key Facts
- quinine acetylsalicylate's instance of is recorded as group of stereoisomers[2].
- quinine acetylsalicylate's CAS Registry Number is recorded as 130-93-8[3].
- quinine acetylsalicylate's canonical SMILES is recorded as CC(=O)OC1=CC=CC=C1C(=O)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O[4].
- quinine acetylsalicylate's InChI is recorded as InChI=1S/C20H24N2O2.C9H8O4/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5H,1H3,(H,11,12)/t13-,14-,19-,20+;/m0./s1[5].
- quinine acetylsalicylate's InChIKey is recorded as XCUDEVDKKHIWRP-DSXUQNDKSA-N[6].
- quinine acetylsalicylate's chemical formula is recorded as C₂₉H₃₂N₂O₆[7].
- quinine acetylsalicylate's subclass of is recorded as chemical compound[8].
- quinine acetylsalicylate's UNII is recorded as S3RFF57Y4U[9].
- quinine acetylsalicylate's ChemSpider ID is recorded as 32700980[10].
- quinine acetylsalicylate's PubChem CID is recorded as 71586755[11].
- quinine acetylsalicylate's isomeric SMILES is recorded as CC(=O)OC1=CC=CC=C1C(=O)O.COC1=CC2=C(C=CN=C2C=C1)C@HOC@HO">[12].
- quinine acetylsalicylate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+504.226'}[13].
- quinine acetylsalicylate's DSSTox substance ID is recorded as DTXSID10156284[14].
- quinine acetylsalicylate's DSSTOX compound identifier is recorded as DTXCID7078775[15].
- quinine acetylsalicylate's UniChem compound ID is recorded as 27304840[16].