butropium
chemical compound
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butropium
Summary
butropium is a group of stereoisomers[1].
Key Facts
- butropium's instance of is recorded as group of stereoisomers[2].
- butropium's CAS Registry Number is recorded as 107080-63-7[3].
- butropium's canonical SMILES is recorded as CCCCOC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C[4].
- butropium's InChI is recorded as InChI=1S/C28H38NO4/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3/q+1/t23-,24+,26+,27-,29?/m1/s1[5].
- butropium's InChIKey is recorded as ALVDDLOWVXJXCD-OTSXCXJCSA-N[6].
- butropium's chemical formula is recorded as C₂₈H₃₈NO₄⁺[7].
- butropium's subclass of is recorded as chemical compound[8].
- butropium's UNII is recorded as 7WSK03KXXW[9].
- butropium's ChemSpider ID is recorded as 32698380[10].
- butropium's ChEBI ID is recorded as 145697[11].
- butropium's DrugBank ID is recorded as DB15968[12].
- butropium's isomeric SMILES is recorded as CCCCOC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC@HOC(=O)C@HC4=CC=CC=C4)CC@HOC(=O)C@HC4=CC=CC=C4)C">[13].
- butropium's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+452.279541'}[14].
- butropium's DSSTox substance ID is recorded as DTXSID40860428[15].
- butropium's Probes And Drugs ID is recorded as PD143818[16].