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7-Hydroxy Fluphenazine

CAT: 0572-TRC-H942435-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942435-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33098-48-5
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OCCN1CCN(CCCN2c3ccc(O)cc3Sc4ccc(cc24)C(F)(F)F)CC1
Molecular Formula
C22 H26 F3 N3 O2 S
Molecular Weight
453.52
InChI
InChI=1S/C22H26F3N3O2S/c23-22(24,25)16-2-5-20-19(14-16)28(18-4-3-17(30)15-21(18)31-20)7-1-6-26-8-10-27(11-9-26)12-13-29/h2-5,14-15,29-30H,1,6-13H2
Additionnal Information
IUPAC name: 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)-8-(trifluoromethyl)-10H-phenothiazin-3-ol

7-hydroxyfluphenazine is a member of phenothiazines.

CAS Number33098-48-5
PubChem CID169490
IUPAC Name10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol
Molecular FormulaC22H26F3N3O2S
Molecular Weight453.5
XLogP4
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity577
SMILES
C1CN(CCN1CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)C(F)(F)F)CCO
InChI
InChI=1S/C22H26F3N3O2S/c23-22(24,25)16-2-5-20-19(14-16)28(18-4-3-17(30)15-21(18)31-20)7-1-6-26-8-10-27(11-9-26)12-13-29/h2-5,14-15,29-30H,1,6-13H2
InChIKey
XVCSDQAFEIGVBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)-8-(trifluoromethyl)-10H-phenothiazin-3-ol
CAS: 33098-48-5
CID: 169490
Formula: C22H26F3N3O2S
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass453.16978274
Monoisotopic Mass453.16978274
Topological Polar Surface Area75.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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