detajmium bitartrate
chemical compound
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detajmium bitartrate
Summary
detajmium bitartrate is a group of stereoisomers[1].
Key Facts
- detajmium bitartrate's instance of is recorded as group of stereoisomers[2].
- detajmium bitartrate's CAS Registry Number is recorded as 33774-52-6[3].
- detajmium bitartrate's canonical SMILES is recorded as CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC(CN(CC)CC)O)C6=CC=CC=C6N4C.C(C(C(=O)[O-])O)(C(=O)O)O[4].
- detajmium bitartrate's InChI is recorded as InChI=1S/C27H42N3O3.C4H6O6/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3;5-1(3(7)8)2(6)4(9)10/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t16?,17-,18?,21-,22-,23+,24-,25+,26+,27+,30-;1-,2-/m01/s1[5].
- detajmium bitartrate's InChIKey is recorded as NXAWWUAMFJNVMF-FELNFDIXSA-M[6].
- detajmium bitartrate's chemical formula is recorded as C₃₁H₄₇N₃O₉[7].
- detajmium bitartrate's subclass of is recorded as chemical compound[8].
- detajmium bitartrate's ChemSpider ID is recorded as 52083273[9].
- detajmium bitartrate's PubChem CID is recorded as 118984401[10].
- detajmium bitartrate's isomeric SMILES is recorded as CC[C@@H]1C@HO.C@@H(C(=O)O)OC@HO.C@@H(C(=O)O)O">[11].
- detajmium bitartrate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+605.331'}[12].
- detajmium bitartrate's SureChEMBL ID is recorded as 30363375[13].
- detajmium bitartrate's DSSTox substance ID is recorded as DTXSID70955356[14].
- detajmium bitartrate's DSSTOX compound identifier is recorded as DTXCID901383353[15].
- detajmium bitartrate's UniChem compound ID is recorded as 145496868[16].