7-Hydroxytrifluoperazine

CAT: 1596-AR-T05956-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05956-01Size:10 Units

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CAS Number

62267-37-2

Molecular Formula

C21H24F3N3OS

Molecular Weight

423.50

API Name

Trifluoperazine

Chemical Information

7-Hydroxytrifluoperazine

metabolite of trifluoperazine; structure given in first source

CAS Number	62267-37-2
PubChem CID	173853
IUPAC Name	10-[3-(4-methylpiperazin-1-yl)propyl]-8-(trifluoromethyl)phenothiazin-3-ol
Molecular Formula	C21H24F3N3OS
Molecular Weight	423.5
XLogP	4.7
Topological Polar Surface Area	55.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	544

SMILES

CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H24F3N3OS/c1-25-9-11-26(12-10-25)7-2-8-27-17-5-4-16(28)14-20(17)29-19-6-3-15(13-18(19)27)21(22,23)24/h3-6,13-14,28H,2,7-12H2,1H3

InChIKey

RVRFVJBAPDPEFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62267-37-2

CID: 173853

Formula: C21H24F3N3OS

MW: 423.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	423.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	423.15921806
Monoisotopic Mass	423.15921806
Topological Polar Surface Area	55.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	544
Isotope Atom Count	0
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
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AR-C05402-01	7-Carboxy cannabidiol (7-COOH-CBD)
AR-C05609-01	Δ7-Avenasterol
AR-V01617-01	Menaquinone 7
AR-M03610-01	7-Nitrosancycline
AR-P02256-01	7-Dehydroxypodophyllotoxin
AR-B01660-01	7-Biopterin
AR-P01044-01	7-Xylosylpaclitaxel

Catalog	Name
CS-O-48752	7-hydroxytrifluoperazine
X-LCP-105	7.7 MAG
TBZ1236	7,7α-Diepialexine
sc-390856	Dok-7 (A-7)
GTR18027105	7.7 Antibody
sc-398919	Siglec-7 (A-7)
H998456	Heptanoic-7,7,7-d3 Acid
B683892	1-Bromoheptane-7,7,7-d3
168296	IL-7 (IL7, IL-7 Interleukin 7, Interleukin-7)
C 214-05	7- Cyano- 7- deazainosine (7-CN-7-C-Ino / Jaspamycin)