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Prochlorperazine Sulfoxide-d3

CAT: 0572-TRC-P755812-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P755812-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189943-37-0
Synonyms
Prochlorperazine Sulfoxide-(methyl-D3)
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1CCN(CCCN2c3ccccc3S(=O)c4ccc(Cl)cc24)CC1
Molecular Formula
C20 2H3 H21 Cl N3 O S
Molecular Weight
392.96
InChI
InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/i1D3
Additionnal Information
IUPAC name: 2-chloro-10-[3-[4-(trideuteriomethyl)piperazin-1-yl]propyl]phenothiazine 5-oxide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Prochlorperazine Sulfoxide-d3
CAS Number1189943-37-0
PubChem CID45040272
IUPAC Name2-chloro-10-[3-[4-(trideuteriomethyl)piperazin-1-yl]propyl]phenothiazine 5-oxide
Molecular FormulaC20H24ClN3OS
Molecular Weight393.0
XLogP3.6
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
[2H]C([2H])([2H])N1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/i1D3
InChIKey
AZGYHFQQUZPAFZ-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Prochlorperazine Sulfoxide-d3
CAS: 1189943-37-0
CID: 45040272
Formula: C20H24ClN3OS
MW: 393.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.0
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.1516915
Monoisotopic Mass392.1516915
Topological Polar Surface Area56.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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