AG003AZ3

111974-74-4 | 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl

AG003AZ3

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CAS Number	111974-74-4
Catalog Number	AG003AZ3(AGN-PC-02KUUQ)
Chemical Name	11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
IUPAC Name	6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
InChI	InChI=1S/C17H17N3S.2ClH/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;2*1H
InChI Key	PZQCQHZDUIIKFU-UHFFFAOYSA-N
MDL Number	MFCD08703302
Molecular Formula	C17H19Cl2N3S
Molecular Weight	368.3239
SMILES	[H]Cl.[H]Cl.C12=CC=CC=C1N=C(N3CCNCC3)C4=CC=CC=C4S2
UNII	7VJ4TC63IL
Synonyms	111974-74-4, 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride, 11-Piperazynil-Dibenzo[b,f][1,4]Thiazepine 2HCL, UNII-7VJ4TC63IL, 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride, 7VJ4TC63IL, 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl, AK-26935, N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride, Q-200098, 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride, 11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride, Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, dihydrochloride, Norquetiapine dihydrochloride, 11-(1-piperazinyl)-dibenzo(b,f)(1,4)thiazepine dihydrochloride, ACMC-209tvy, EC 700-276-9, SCHEMBL8507, C17H19Cl2N3S, KSC497C0T, CTK3J7109, DTXSID60600505, PZQCQHZDUIIKFU-UHFFFAOYSA-N, 11-Piperazin-1-yldibenzo(b,f)(1,4)thiazepine dihydrochloride, BCP14824, KS-00000IO3, ANW-43004, CP-206, MFCD08703302, AKOS015895322, AC-1919, KS-5300, 10-(Piperazin-1-yl)-2-thia-9- azatricyclo(9.4.0.0^(3,8))pentadeca- 1(15),3,5,7,9,11,13-heptaene dihydrochloride, BC215226, I862, SC-15225, SY046613, AB0013912, DB-005659, RT-003529, TL8000349, AM20020202, FT-0082386, FT-0600381, ST24032238, MFCD08703302 (95%), M-1105, 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl, 974P744, C-36464, 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydroch, I06-0737, 11-Piperazinodibenzo[b,f][1,4]thiazepinedihydrochloride, 11-piperazinyldibenzo[b,f][1,4]thiazepine dihydrochloride, 11-(piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride, 11-piperazynil-dibenzo [b,f][1,4]thiazepine dihydrochloride, 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride, (E)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen chloride (1/2), Dibenzo[b,f][1,4]thiazepine,11-(1-piperazinyl)-, hydrochloride (1:2), norquetiapine, CS-O-05906, CS-O-14160, 11-piperazinodibenzo(b,f)(1,4)thiazepine dihydrochloride, 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride, 11-piperazin-1-yldibenzo[b,f][1,4]thiazepine dihydrochloride, 11-piperazine-1-yl-Dibenzo(b,f)(1,4) thiazpine dihydrochloride, 10-(piperazin-1-yl)-2-thia-9- azatricyclo[9.4.0.0^{3,8}]pentadeca- 1(15),3,5,7,9,11,13-heptaene dihydrochloride,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	367.068g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	368.32g/mol
Monoisotopic Mass	367.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number