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Amisulpride-d5 N-Oxide

CAT: 0572-TRC-A633267-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A633267-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794756-15-2
Synonyms
4-Amino-N-[(1-(ethyl-d5)-1-oxido-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide; 4-Amino-N-[(1-(ethyl-d5)-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2- methoxybenzamide N-Oxide;
Hazard Statement
Harmful if swallowed
Smiles
O=C(C1=C(OC)C=C(N)C(S(=O)(CC)=O)=C1)NCC2CCCN2(C([2H])([2H])C([2H])([2H])[2H])=O
Molecular Formula
C17H22D5N3O5S
Molecular Weight
390.51
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Amisulpride-d5 N-Oxide
CAS Number1794756-15-2
PubChem CID71313373
IUPAC Name4-amino-5-ethylsulfonyl-2-methoxy-N-[[1-oxido-1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-1-ium-2-yl]methyl]benzamide
Molecular FormulaC17H27N3O5S
Molecular Weight390.5
XLogP1.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity594
SMILES
[2H]C([2H])([2H])C([2H])([2H])[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-]
InChI
InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/i1D3,4D2
InChIKey
LLIKIPAUZJTRGB-SGEUAGPISA-N
Chemical Structure
2D Structure
2D structure of Amisulpride-d5 N-Oxide
CAS: 1794756-15-2
CID: 71313373
Formula: C17H27N3O5S
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass390.19852587
Monoisotopic Mass390.19852587
Topological Polar Surface Area125 Ų
Heavy Atom Count26
Formal Charge0
Complexity594
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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