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trans-3-Fluoro-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride
SpectraBase Compound ID 40qGvqBbObq
InChI InChI=1S/C20H23FN2O2S.ClH/c1-22(2)12-13-23-16-6-4-5-7-17(16)26-19(18(21)20(23)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19H,12-13H2,1-3H3;1H/t18-,19-;/m1./s1
InChIKey LXVGOOIREQIFAO-STYNFMPRSA-N
Mol Weight 410.94 g/mol
Molecular Formula C20H24ClFN2O2S
Exact Mass 410.123105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PArHRlgKjh
Name trans-3-Fluoro-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24ClFN2O2S
InChI InChI=1S/C20H23FN2O2S.ClH/c1-22(2)12-13-23-16-6-4-5-7-17(16)26-19(18(21)20(23)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19H,12-13H2,1-3H3;1H/t18-,19-;/m1./s1
InChIKey LXVGOOIREQIFAO-STYNFMPRSA-N
Molecular Weight 410.935 g/mol
SMILES Cl.C1(N(c2c(S[C@@]([C@]1(F)[H])(c1ccc(cc1)OC)[H])cccc2)CCN(C)C)=O
SPLASH splash10-0a4i-0900000000-23ff67d581a00d875791
Source of Spectrum F-52-4410-20
Synonyms (2R,3S)-5-[2-(dimethylamino)ethyl]-3-fluoro-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one hydrochloride
Wiley ID 796019