4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Registry Number®
220120-14-9
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CAS Name
4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Molecular Formula
C17H21FN4.C6H8O7Cite this Page
4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 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=220120-14-9 (retrieved ) (CAS RN: 220120-14-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
InChIKey=LTBKOSQVBVYJKW-UHFFFAOYSA-N
SMILES
C(CCCN1C=NC=N1)N2CCC(=CC2)C3=CC=C(F)C=C3.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.FC=1C=CC(=CC1)C2=CCN(CC2)CCCCN3N=CN=C3
Other Names for this Substance
- Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- E 5842
