Zotepine-D6

CAT: 1299-RM-Z230002-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-Z230002-01Size:10 mg

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CAS Number

2512222-52-3

Synonyms

2- ((8-chlorodibenzo[b, f]thiepin-10-yl) oxy) -N, N-bis (methyl-d3) ethan-1-amine

Molecular Formula

C18H12D6ClNOS

Molecular Weight

337.89

Target Alternative Name

Zotepine

Product Name Synonym

2- ((8-chlorodibenzo[b, f]thiepin-10-yl) oxy) -N, N-bis (methyl-d3) ethan-1-amine

Chemical Information

Zotepine-d6

CAS Number	2512222-52-3
PubChem CID	126456328
IUPAC Name	2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-bis(trideuteriomethyl)ethanamine
Molecular Formula	C18H18ClNOS
Molecular Weight	337.9
XLogP	4.8
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	401

SMILES

[2H]C([2H])([2H])N(CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C([2H])([2H])[2H]

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/i1D3,2D3

InChIKey

HDOZVRUNCMBHFH-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 2512222-52-3

CID: 126456328

Formula: C18H18ClNOS

MW: 337.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.9
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	337.1174235
Monoisotopic Mass	337.1174235
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	401
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-Z230001-01	Zotepine
RM-P052032-01	Pentoxifylline-D6 (Dimethyl-D6)
RM-P050213-01	3,3′-Dichlorobenzidine D6 (Ring D6)
RM-P052033-01	Hydroxy Pentoxifylline-D6 (Rac-Lisofylline-D6)
RM-C620917-01	Colchicine-d6
RM-D400008-01	Desmethylvenlafaxine-d6
RM-O160960-01	Opicapone-d6
RM-B180805-01	Brompheniramine-d6
RM-F140241-01	Fenofibrate-D6
RM-T051811-01	Tetrabenazine D6