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8-Methoxy Loxapine-d3

CAT: 0572-TRC-M226152-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M226152-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189647-48-0
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N1CCN(CC1)C2=Nc3cc(OC)ccc3Oc4ccc(Cl)cc24
Molecular Formula
C19 D3 H17 Cl N3 O2
Molecular Weight
360.853
InChI
InChI=1S/C19H20ClN3O2/c1-22-7-9-23(10-8-22)19-15-11-13(20)3-5-17(15)25-18-6-4-14(24-2)12-16(18)21-19/h3-6,11-12H,7-10H2,1-2H3/i1D3
Additionnal Information
IUPAC name: 8-chloro-3-methoxy-6-[4-(trideuteriomethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
Shipping Conditions
Room Temperature

Chemical Information

8-Methoxy Loxapine-d3
CAS Number1189647-48-0
PubChem CID46782131
IUPAC Name8-chloro-3-methoxy-6-[4-(trideuteriomethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
Molecular FormulaC19H20ClN3O2
Molecular Weight360.9
XLogP3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity495
SMILES
[2H]C([2H])([2H])N1CCN(CC1)C2=NC3=C(C=CC(=C3)OC)OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H20ClN3O2/c1-22-7-9-23(10-8-22)19-15-11-13(20)3-5-17(15)25-18-6-4-14(24-2)12-16(18)21-19/h3-6,11-12H,7-10H2,1-2H3/i1D3
InChIKey
CQTLHLYDQYOEJW-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 8-Methoxy Loxapine-d3
CAS: 1189647-48-0
CID: 46782131
Formula: C19H20ClN3O2
MW: 360.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.9
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass360.1432348
Monoisotopic Mass360.1432348
Topological Polar Surface Area37.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity495
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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