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Zotepine

CAT: 0572-TRC-Z700900-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z700900-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26615-21-4
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13
Molecular Formula
C18 H18 Cl N O S
Molecular Weight
331.86
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
Additionnal Information
IUPAC name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Zotepine

Zotepine is a dibenzothiepine and a tertiary amino compound. It has a role as a serotonergic drug, an alpha-adrenergic drug and a second generation antipsychotic.

CAS Number26615-21-4
PubChem CID5736
IUPAC Name2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
Molecular FormulaC18H18ClNOS
Molecular Weight331.9
XLogP4.8
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity401
SMILES
CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
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
InChIKey
HDOZVRUNCMBHFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zotepine
CAS: 26615-21-4
CID: 5736
Formula: C18H18ClNOS
MW: 331.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.9
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass331.0797631
Monoisotopic Mass331.0797631
Topological Polar Surface Area37.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B7563-25Zotepine
HY-W744038Zotepine-d6
HY-103093R-01Zotepine (Standard)
CS-T-87838Zotepine S-Oxide
469249-01Zotepine N-Oxide

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