Perphenazine Impurity 4

CAT: 1299-RM-P181704-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181704-02Size:25 mg

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CAS Number

1927-43-1

Synonyms

2-chloro-10H-phenothiazine 5-oxide

Molecular Formula

C12H8ClNOS

Molecular Weight

249.71

Target Alternative Name

Perphenazine

Product Name Synonym

2-chloro-10H-phenothiazine 5-oxide

Chemical Information

2-chloro-10H-phenothiazine 5-oxide

CAS Number	1927-43-1
PubChem CID	6451335
IUPAC Name	2-chloro-10H-phenothiazine 5-oxide
Molecular Formula	C12H8ClNOS
Molecular Weight	249.72
XLogP	3
Topological Polar Surface Area	61.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	299

SMILES

C1=CC=C2C(=C1)NC3=C(S2=O)C=CC(=C3)Cl

InChI

InChI=1S/C12H8ClNOS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)16(12)15/h1-7,14H

InChIKey

HFIIJPQBZFAIHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1927-43-1

CID: 6451335

Formula: C12H8ClNOS

MW: 249.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.72
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	249.0015127
Monoisotopic Mass	249.0015127
Topological Polar Surface Area	61.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P181701-01	Perphenazine EP Impurity A; Perphenazine Sulfoxide
RM-P181703-01	Perphenazine Impurity 3
RM-P191706-01	Perphenazine Impurity 6
RM-P191707-01	Perphenazine Impurity 7
RM-P191705-01	Perphenazine Impurity 5
RM-P181702-01	Perphenazine EP Impurity B; Perphenazine Related Compound B
RM-P181700-01	Perphenazine
RM-G271004-01	Gc376 Impurity 4; Nirmatrelvir Impurity
RM-A331004-01	Azlocillinum Impurity 4
RM-E120104-01	Elagolix Impurity 4

Catalog	Name
AR-P01528-01	Perphenazine EP Impurity A
AR-P01527-01	Perphenazine Impurity 1
AR-P31042-01	Perphenazine DiHCl (Fluphenazine Dihydrochloride EP Impurity E DiHCl)
B6157-25000	Perphenazine