butropium bromide
chemical compound
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butropium bromide
Summary
butropium bromide is a group of stereoisomers[1].
Key Facts
- butropium bromide's instance of is recorded as group of stereoisomers[2].
- butropium bromide's CAS Registry Number is recorded as 29025-14-7[3].
- butropium bromide's EC number is recorded as 249-375-4[4].
- butropium bromide'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.[Br-][5].
- butropium bromide's InChI is recorded as InChI=1S/C28H38NO4.BrH/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;1H/q+1;/p-1/t23-,24+,26+,27-,29?;/m1./s1[6].
- butropium bromide's InChIKey is recorded as JABDOYKGZCPHPX-XSCYYCMVSA-M[7].
- butropium bromide's chemical formula is recorded as C₂₈H₃₈BrNO₄[8].
- butropium bromide's subclass of is recorded as chemical compound[9].
- butropium bromide's UNII is recorded as R3K4503MV7[10].
- butropium bromide's ChemSpider ID is recorded as 16735715[11].
- butropium bromide's ChEBI ID is recorded as 31327[12].
- butropium bromide'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)C.[Br-]C@HOC(=O)C@HC4=CC=CC=C4)C.[Br-]">[13].
- butropium bromide's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+531.198425'}[14].
- butropium bromide's ECHA Substance Infocard ID is recorded as 100.044.873[15].
- butropium bromide's SureChEMBL ID is recorded as 26023[16].
- butropium bromide's DSSTox substance ID is recorded as DTXSID1022716[17].
- butropium bromide's DSSTOX compound identifier is recorded as DTXCID302716[18].