AG002TV2

26615-21-4 | Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-

AG002TV2

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CAS Number	26615-21-4
Catalog Number	AG002TV2(AGN-PC-0JK7CV)
Chemical Name	Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-
IUPAC Name	2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
InChI	InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
InChI Key	HDOZVRUNCMBHFH-UHFFFAOYSA-N
MDL Number	MFCD00868143
Molecular Formula	C18H18ClNOS
Molecular Weight	331.8596
SMILES	ClC=1C=CC2=C(C(=CC3=C(S2)C=CC=C3)OCCN(C)C)C1
UNII	U29O83JAZW
Synonyms	2-chloro-11-(2-dimethylaminoethoxy)dibenzo(b,f)thiepine, Nipolept, Zoleptil, zotepine, zotepine, 26615-21-4, Nipolept, Lodopin, Zoleptil, Zotepina, Zotepinum, Compound-4, Zotepina [Spanish], Zotepinum [INN-Latin], Zotepina [INN-Spanish], UNII-U29O83JAZW, 2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin, 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin, C18H18ClNOS, BRN 1435710, U29O83JAZW, CHEMBL285802, CHEBI:32316, HDOZVRUNCMBHFH-UHFFFAOYSA-N, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine, 2-Chloro-11-(2-dimethylaminoethoxy)-dibenzo(b,f)thiepine, NCGC00182081-02, 2-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethanamine, 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin [German], 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 2-[(8-chlorodibenzo[b,f]-thiepin-10-yl)oxy]-N,N-dimethylethanamine, DSSTox_CID_3756, DSSTox_RID_77187, DSSTox_GSID_23756, 2-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine, DIBENZO(b,f)THIEPIN, 2-CHLORO-11-(2-(DIMETHYLAMINO)ETHOXY)-, Ethanamine, 2-((8-chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-, CAS-26615-21-4, Zotepine [INN:JAN], Zotepine [INN:BAN:JAN], Engramon, Majorpin, Setous, Setous (TN), Zotepine (JAN/INN), AC1L1L0W, GTPL103, 5-17-04-00588 (Beilstein Handbook Reference), SCHEMBL114409, ZINC2264, 2-chloro-11-(2-dimethylaminoethoxy)dibenzo(b,f)thiepine, DTXSID9023756, BDBM35255, HDOZVRUNCMBHFH-UHFFFAOYSA-, AOB5032, HMS3713E06, BCP06661, Tox21_113135, BG0572, MFCD00868143, AKOS005066198, Tox21_113135_1, API0007219, CCG-220422, DB09225, ACM26615214, NCGC00182081-03, NCGC00182081-04, AS-12557, LS-61385, TL8002119, B7563, FT-0655460, D01321, 615Z214, A818524, L000902, SR-01000872710, I06-0493, SR-01000872710-1, 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine, 2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N,N-dimethylethanamine, 2-[(3-chloro-5-benzo[b][1]benzothiepinyl)oxy]-N,N-dimethylethanamine, 2-[(8-Chlorodibenzo(Z)[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine, InChI=1/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3, ZOT, D0T6QX, C18-H18-Cl-N-O-S, CID5736, CS-O-11774, FR-1314, C022172, 2-chloro-11-(2-di-methylaminoethoxy)dibenzo[b,f]thiepine,

Complexity	401
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.08g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.858g/mol
Monoisotopic Mass	331.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H400
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 2811

Certificate of Analysis

Lot Number