phenactropinium chloride
chemical compound
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phenactropinium chloride
Summary
phenactropinium chloride is a group of stereoisomers[1].
Key Facts
- phenactropinium chloride's instance of is recorded as group of stereoisomers[2].
- phenactropinium chloride's CAS Registry Number is recorded as 3784-89-2[3].
- phenactropinium chloride's canonical SMILES is recorded as C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4.[Cl-][4].
- phenactropinium chloride's InChI is recorded as InChI=1S/C24H28NO4.ClH/c1-25(16-22(26)17-8-4-2-5-9-17)19-12-13-20(25)15-21(14-19)29-24(28)23(27)18-10-6-3-7-11-18;/h2-11,19-21,23,27H,12-16H2,1H3;1H/q+1;/p-1/t19-,20+,21+,23?,25?;[5].
- phenactropinium chloride's InChIKey is recorded as NMWOUJTUPILZRV-PVPIFILRSA-M[6].
- phenactropinium chloride's chemical formula is recorded as C₂₄H₂₈ClNO₄[7].
- phenactropinium chloride's subclass of is recorded as chemical compound[8].
- phenactropinium chloride's ChEMBL ID is recorded as CHEMBL2107471[9].
- phenactropinium chloride's UNII is recorded as 43P9Q83UFF[10].
- phenactropinium chloride's ChemSpider ID is recorded as 16735958[11].
- phenactropinium chloride's isomeric SMILES is recorded as C[N+]1([C@@H]2CC[C@H]1CC@HOC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4.[Cl-]C@HOC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4.[Cl-]">[12].
- phenactropinium chloride's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+429.17068605599997'}[13].
- phenactropinium chloride's SureChEMBL ID is recorded as 308786[14].
- phenactropinium chloride's DSSTox substance ID is recorded as DTXSID90958869[15].
- phenactropinium chloride's DSSTOX compound identifier is recorded as DTXCID301386761[16].