basic_info |
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| Product_Name: | 2,3-BUTANEDIOL, 2-(P-CHLOROPHENYL)-3-METHYL-MIXED WITH 4-(BETA-CYCLOH EXYL-BETA-HYDROXYPHENETHYL)-1,1-DIMETHYLPIPERAZINIUM SULFATE (4:1) |
| CAS: | 76485-09-1 |
| EnglishSynonyms: | 2,3-BUTANEDIOL, 2-(P-CHLOROPHENYL)-3-METHYL-MIXED WITH 4-(BETA-CYCLOH EXYL-BETA-HYDROXYPHENETHYL)-1,1-DIMETHYLPIPERAZINIUM SULFATE (4:1) |
| pro_mdlNumber: | MFCD01741872 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C(C)(c1ccc(cc1)Cl)O)O.CC(C)(C(C)(c1ccc(cc1)Cl)O)O.CC(C)(C(C)(c1ccc(cc1)Cl)O)O.CC(C)(C(C)(c1ccc(cc1)Cl)O)O.C[N+]1(CCN(CC1)CC(c2ccccc2)(C3CCCCC3)O)C.OS(=O)(=O)[O-] |
| InChi: | InChI=1S/C20H33N2O.4C11H15ClO2.H2O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;4*1-10(2,13)11(3,14)8-4-6-9(12)7-5-8;1-5(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;4*4-7,13-14H,1-3H3;(H2,1,2,3,4)/q+1;;;;;/p-1 |
| InChiKey: | InChIKey=CYFGDXNQJLYKLE-UHFFFAOYSA-M |
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