Ifoxetine sulfate

CAT: 0931-T27589-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T27589-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

98518-48-0

Target

5-HT Receptor, Others

Related Pathways

Neuroscience, Others, GPCR/G Protein

Bioactivity

Ifoxetine sulfate, a 5-HT uptake inhibitor with atypical effects on serotonin uptake, may exhibit a therapeutic and/or side-effect profile which differs from that of classical 5-HT uptake inhibitors.

Smiles

O=S(O)(O)=O.CC(C=C1O[C@H]2[C@H](CNCC2)O)=C(C=C1)C.CC(C=C3O[C@H]4[C@H](CNCC4)O)=C(C=C3)C

Molecular Formula

C13H19NO2·1/2H2O4S

Molecular Weight

270.34

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ifoxetine sulfate

CAS Number	98518-48-0
PubChem CID	176731
IUPAC Name	bis((3R,4S)-4-(3,4-dimethylphenoxy)piperidin-3-ol);sulfuric acid
Molecular Formula	C26H40N2O8S
Molecular Weight	540.7
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	37
Formal Charge	0
Complexity	303

SMILES

CC1=C(C=C(C=C1)O[C@H]2CCNC[C@H]2O)C.CC1=C(C=C(C=C1)O[C@H]2CCNC[C@H]2O)C.OS(=O)(=O)O

InChI

InChI=1S/2C13H19NO2.H2O4S/c2*1-9-3-4-11(7-10(9)2)16-13-5-6-14-8-12(13)15;1-5(2,3)4/h2*3-4,7,12-15H,5-6,8H2,1-2H3;(H2,1,2,3,4)/t2*12-,13+;/m11./s1

InChIKey

MJQRJFLTDXDFSO-NVGTXZLJSA-N

Chemical Structure

2D Structure

CAS: 98518-48-0

CID: 176731

Formula: C26H40N2O8S

MW: 540.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	540.25053741
Monoisotopic Mass	540.25053741
Topological Polar Surface Area	166 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5777299	Ifoxetine sulfate
HY-108973A	Ifoxetine
HY-108973	Ifoxetine (hemisulfate)
B8996-03	Butacaine Sulfate (Butyn Sulfate)
90021020	Capreomycin sulfate (Capastat sulfate)
27428602	Capastat sulfate (Capreomycin sulfate)
sc-506292	Potassium Sulfate (Sulfate of Potash)
D3727-28	Diphenyleneiodonium Sulfate (DPI Sulfate)
MBS638997-01	DHEA Sulfate, ~99% (Dehydroepiandrosterone Sulfate)
AR-N01268-01	Neomycin B Sulfate (Framycetin Sulfate)

Ifoxetine sulfate

Chemical Information

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