Perphenazine-d4

CAT: 1596-AR-P01520-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01520-02Size:25 Units

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CAS Number

155593-75-2

Synonyms

2-[4-[3- (2-chloro-1,3,7,9-tetradeuteriophenothiazin-10-yl) propyl]piperazin-1-yl]ethanol; Perphenazine-d4 (phenothiazine-1,3,7,9-d4)

Molecular Formula

C21H22ClN3OSD4

Molecular Weight

407.99

API Name

Perphenazine

Chemical Information

Perphenazine-d4

CAS Number	155593-75-2
PubChem CID	10319251
IUPAC Name	2-[4-[3-(2-chloro-1,3,7,9-tetradeuteriophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
Molecular Formula	C21H26ClN3OS
Molecular Weight	408.0
XLogP	4.2
Topological Polar Surface Area	55.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	463

SMILES

[2H]C1=CC(=C2C(=C1)SC3=C(N2CCCN4CCN(CC4)CCO)C(=C(C(=C3)[2H])Cl)[2H])[2H]

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/i2D,4D,6D,16D

InChIKey

RGCVKNLCSQQDEP-WNJORUDBSA-N

Chemical Structure

2D Structure

CAS: 155593-75-2

CID: 10319251

Formula: C21H26ClN3OS

MW: 408.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.0
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	407.1736183
Monoisotopic Mass	407.1736183
Topological Polar Surface Area	55.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	463
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P01521-01	Perphenazine
AR-P01524-01	7-Hydroxy Perphenazine
AR-P01528-01	Perphenazine EP Impurity A
AR-P01523-01	Perphenazine-d8 2HCl
AR-P01527-01	Perphenazine Impurity 1
AR-P01522-01	Perphenazine Related Compound B
AR-P01526-01	Perphenazine-14-N-Oxide
AR-P01525-01	Perphenazine-17-N-Oxide DiHCl
AR-P31042-01	Perphenazine DiHCl (Fluphenazine Dihydrochloride EP Impurity E DiHCl)
AR-C05728-01	Calcipotriol-d4 (Calcipotriene-d4)

Catalog	Name
463870	Perphenazine-d4
TRC-P291101-1MG	Perphenazine-d4 (phenothiazine-1,3,7,9-d4)
B6157-25000	Perphenazine