CAS Registry Number®

1173021-89-0
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Molecular Formula

C21H16D3F2N3O3.ClH

Cite this Page

.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1173021-89-0 (retrieved 2024-05-19) (CAS RN: 1173021-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H/i1D3;

InChIKey

InChIKey=JFMGBGLSDVIOHL-NIIDSAIPSA-N

SMILES

O=C1C=2C(N(C=C1C(O)=O)C3=CC=C(F)C=C3)=CC(=C(F)C2)N4CCN(C([2H])([2H])[2H])CC4.Cl

Canonical SMILES

Cl.O=C(O)C1=CN(C2=CC=C(F)C=C2)C3=CC(=C(F)C=C3C1=O)N4CCN(C)CC4

Other Names for this Substance

  • 6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-[4-(trideuteriomethyl)piperazin-1-yl]quinoline-3-carboxylic acid hydrochloride

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