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4-(8-Amino-10,11-Dihydro-3-Fluorodibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol Trimethanesulfonate Dihydrate
[CAS# 70932-17-1]

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CAS#: 70932-17-1
Product: 4-(8-Amino-10,11-Dihydro-3-Fluorodibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol Trimethanesulfonate Dihydrate
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Identification
Name 4-(8-Amino-10,11-Dihydro-3-Fluorodibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol Trimethanesulfonate Dihydrate
Synonyms 2-[4-(8-Amino-2-Fluoro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Piperazinyl]Ethanol; Methanesulfonic Acid; 1-Piperazineethanol, 4-(8-Amino-10,11-Dihydro-3-Fluorodibenzo(B,F)Thiepin-10-Yl)-, Trimethanesulfonate, Dihydrate
Molecular Structure CAS#: 70932-17-1, 4-(8-Amino-10,11-Dihydro-3-Fluorodibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol Trimethanesulfonate Dihydrate
Molecular Formula C23H36FN3O10S4
Molecular Weight 661.79
CAS Registry Number 70932-17-1
SMILES C4=C3C(N1CCN(CC1)CCO)CC2=CC=C(F)C=C2SC3=CC=C4N.C[S](=O)(=O)O.C[S](=O)(=O)O.O=[S](=O)(O)C
InChI 1S/C20H24FN3OS.3CH4O3S/c21-15-2-1-14-11-18(24-7-5-23(6-8-24)9-10-25)17-13-16(22)3-4-19(17)26-20(14)12-15;3*1-5(2,3)4/h1-4,12-13,18,25H,5-11,22H2;3*1H3,(H,2,3,4)
InChIKey TXKOZSJXMFMDEB-UHFFFAOYSA-N
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