Ethanone, 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[[3-(diethylamino)propyl]thio]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Registry Number®
548491-50-5
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CAS Name
Ethanone, 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[[3-(diethylamino)propyl]thio]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Molecular Formula
C19H27Cl2NOS.C6H8O7Cite this Page
Ethanone, 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[[3-(diethylamino)propyl]thio]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=548491-50-5 (retrieved ) (CAS RN: 548491-50-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H27Cl2NOS.C6H8O7/c1-3-22(4-2)11-6-12-24-14-18(23)19(9-5-10-19)15-7-8-16(20)17(21)13-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,13H,3-6,9-12,14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
InChIKey=UZRGKFGYFHQJAW-UHFFFAOYSA-N
SMILES
C(CSCCCN(CC)CC)(=O)C1(CCC1)C2=CC(Cl)=C(Cl)C=C2.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(CSCCCN(CC)CC)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1
Other Names for this Substance
- Ethanone, 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[[3-(diethylamino)propyl]thio]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- BTS 74398
