AG003ASQ

3313-26-6 | (9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide

AG003ASQ

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CAS Number	3313-26-6
Catalog Number	AG003ASQ(AGN-PC-0R8MGJ)
Chemical Name	(9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide
EC Number	227-001-0
IUPAC Name	(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
InChI	InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
InChI Key	GFBKORZTTCHDGY-UWVJOHFNSA-N
MDL Number	MFCD00079574
Molecular Formula	C23H29N3O2S2
Molecular Weight	443.6253
RTECS Number	XO1400000
SMILES	CN(S(=O)(=O)C1=CC=2C(C3=CC=CC=C3SC2C=C1)=C/CCN1CCN(CC1)C)C
UNII	7318FJ13YJ
Synonyms	Navane, Thiothixene, Tiotixene, thiothixene, cis-Thiothixene, Tiotixene, Navane, Thiothixine, 3313-26-6, (Z)-Thiothixene, Tiotixeno, Tiotixenum, Tiotixenum [INN-Latin], Tiotixeno [INN-Spanish], (E)-Thiothixene, Thiothixene (Z), Navaron, Orbinamon, Navan, Thiothixene hydrochloride, NSC-108165, UNII-7318FJ13YJ, MLS000028463, (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide, SMR000058396, 5591-45-7, GFBKORZTTCHDGY-UWVJOHFNSA-N, 7318FJ13YJ, CP-12,252-1 base, cis-N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide, CP-12,252-1, P-4657-B, CP 12252-1, P-4657A, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (Z)-, Tiotixene (JAN), Thiothixene (USP), Navane (TN), Thiothixene [USAN], 2-(Dimethylsulfamoyl)-(9-(4-methyl-1-piperazinyl)propylidene)thioxanthene, 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, NSC108165, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, trans-N,N-Dimethyl-9-(3-(4-methyl-piperazinyl)propylidene)thioxanthene-2-sulfonamide, Tiotixene [INN], P-4657B, Opera_ID_626, AC1LJ0FG, CHEMBL1201, BIDD:PXR0153, Lopac0_001144, SCHEMBL34305, GTPL212, MLS006010662, CHEBI:9571, cid_941651, DTXSID2091542, BDBM78576, AOB5787, N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thiaxanthene-2-sulfonamide, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (E)-, HMS2230F08, MFCD00079574, PDSP1_000038, PDSP1_000625, PDSP1_000626, PDSP2_000038, PDSP2_000622, ZINC30690433, {2-(Dimethylsulfamoyl)-[9-(4-methyl-1-piperazinyl)propylidene]thiox} anthene, AKOS015850761, CCG-205218, CS-7959, DB01623, NCGC00162353-01, AN-18958, AS-16925, CPD000058396, SAM002589997, HY-108324, LS-153666, LS-153667, Thiothixene, meets USP testing specifications, D00374, T15560, UNII-LF886533UR component GFBKORZTTCHDGY-UWVJOHFNSA-N, Thiothixene, United States Pharmacopeia (USP) Reference Standard, (9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide, (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide, (Z)-N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulfonamide, N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide #, 9H-Thioxanthene-2-sulfonamide, N, {N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-,} (Z)-, trans-Thiothixene, Thiothixene (base), THIOTHIXENE HCL, Thiothixene [USAN:BAN], Thiothixene [USAN:USP], D0E0LQ, UNII-LF886533UR, Thiothixene Hydrochloride (base), HSDB 3402, C23H29N3O2S2, P 4657B, EINECS 227-001-0, CID941651, P-4657 B, C23-H29-N3-O2-S2, NSC 108165, D013888, 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide, N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide, 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl- 1-piperazinyl)propylidene]-, (9Z)-, (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide, (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide, cis-nu-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-(dimethylsulfonamido)thioxanthene, N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulphonamide, N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thiaxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulphonamide, N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (Z)-, 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (9Z)-, 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, (Z)-,

Complexity	711
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	443.17g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	443.624g/mol
Monoisotopic Mass	443.17g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	77.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number