Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

111974-74-4

Name 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride
CAS 111974-74-4
EINECS(EC#) 1312995-182-4
Molecular Formula C17H19Cl2N3S
MDL Number MFCD08703302
Molecular Weight 368.324
MOL File 111974-74-4.mol

Chemical Properties

Appearance Pale-Yellow Solid
Melting point  180-184°C
storage temp.  Inert atmosphere,2-8°C
solubility  Soluble in DMSO, Methanol, Distilled Water
form  solid
color  Off-white
Usage A metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO, methanol, or distilled water may be stored at -20°C for up to 3 months.
InChI InChI=1S/C17H17N3S.ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;/h1-8,18H,9-12H2;1H
InChIKey MJPARFLICDXWJT-UHFFFAOYSA-N
SMILES C1(N2CCNCC2)=NC2C=CC=CC=2SC2=CC=CC=C12.Cl
CAS DataBase Reference 111974-74-4(CAS DataBase Reference)

Safety Data

HS Code  2934990002

Hazard Information

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