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4'-oxideprochlorperazine sulfoxide

CAT: 1459-CS-ED-00762Size: 1 EachDry Ice: NoHazardous: No
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Description
4'-oxideprochlorperazine sulfoxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Prochlorperazine. The product is supplied by Clearsynth under CAT No. CS-ED-00762. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
879495-68-8
Synonyms
4'-oxideprochlorperazine sulfoxide
Molecular Formula
C 20 H 24 ClN 3 O 2 S
Molecular Weight
405.9
Additionnal Information
4'-oxideprochlorperazine sulfoxide is supplied with detailed characterization data compliant with regulatory guideline. 4'-oxideprochlorperazine sulfoxide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Prochlorperazine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Prochlorperazine sulfoxide, 4'-oxide
CAS Number879495-68-8
PubChem CID91668180
IUPAC Name2-chloro-10-[3-(4-methyl-4-oxidopiperazin-4-ium-1-yl)propyl]phenothiazine 5-oxide
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.9
XLogP2.7
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity543
SMILES
C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)[O-]
InChI
InChI=1S/C20H24ClN3O2S/c1-24(25)13-11-22(12-14-24)9-4-10-23-17-5-2-3-6-19(17)27(26)20-8-7-16(21)15-18(20)23/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
QOBHEEKSQZNSKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prochlorperazine sulfoxide, 4'-oxide
CAS: 879495-68-8
CID: 91668180
Formula: C20H24ClN3O2S
MW: 405.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.9
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass405.1277759
Monoisotopic Mass405.1277759
Topological Polar Surface Area71.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity543
Isotope Atom Count0
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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