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SPD-473 citrate

CAT: 0804-HY-101612-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101612-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SPD-473 citrate is a serotonin/dopamine/norepinephrine reuptake inhibitior.
CAS Number
161190-26-7
UNSPSC
12352005
Target
Dopamine Transporter; Serotonin Transporter
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/SPD-473_(citrate).html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN(CCCSCC(C1(C2=CC=C(Cl)C(Cl)=C2)CCC1)=O)C.O=C(CC(C(O)=O)(O)CC(O)=O)O
Molecular Formula
C23H31Cl2NO8S
Molecular Weight
552.47
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SPD-473 citrate
CAS Number161190-26-7
PubChem CID70068198
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[3-(dimethylamino)propylsulfanyl]ethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC23H31Cl2NO8S
Molecular Weight552.5
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity601
SMILES
CN(C)CCCSCC(=O)C1(CCC1)C2=CC(=C(C=C2)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C17H23Cl2NOS.C6H8O7/c1-20(2)9-4-10-22-12-16(21)17(7-3-8-17)13-5-6-14(18)15(19)11-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,11H,3-4,7-10,12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
NWEDOXGMRSZNHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPD-473 citrate
CAS: 161190-26-7
CID: 70068198
Formula: C23H31Cl2NO8S
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass551.1147435
Monoisotopic Mass551.1147435
Topological Polar Surface Area178 Ų
Heavy Atom Count35
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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