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Amoxapine-d8

CAT: 0572-TRC-A634232-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A634232-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189671-27-9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Oc4ccc(Cl)cc24)C1([2H])[2H]
Molecular Formula
C17H8D8ClN3O
Molecular Weight
321.83
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Chloro-11-[(2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl]dibenzo[b,f][1,4]oxazepine
CAS Number1189671-27-9
PubChem CID46780378
IUPAC Name8-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)benzo[b][1,4]benzoxazepine
Molecular FormulaC17H16ClN3O
Molecular Weight321.8
XLogP2.6
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity424
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2/i7D2,8D2,9D2,10D2
InChIKey
QWGDMFLQWFTERH-UFBJYANTSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-11-[(2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl]dibenzo[b,f][1,4]oxazepine
CAS: 1189671-27-9
CID: 46780378
Formula: C17H16ClN3O
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass321.1484038
Monoisotopic Mass321.1484038
Topological Polar Surface Area36.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity424
Isotope Atom Count8
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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