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Desvenlafaxine Succinate

CAT: 0607-B2246-SSize: Evaluation SampleDry Ice: NoHazardous: No
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Description
serotonin (5-HT) transporter and norepinephrine (NE) transporter reuptake inhibitor
CAS Number
386750-22-7
Product Name Alternative
butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.9981
Form
A solid
Solubility
≥18.55 mg/mL in DMSO; ≥2.04 mg/mL in H2O with gentle warming and ultrasonic; ≥2.6 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O
Molecular Formula
C16H25NO2·C4H6O4·H2O
Molecular Weight
381.46
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Desvenlafaxine Succinate

Desvenlafaxine Succinate is the succinate salt form of desvenlafaxine, a synthetic phenethylamine bicyclic derivative with antidepressant activity. Desvenlafaxine is a selective reuptake inhibitor of serotonin and norepinephrine due to its high binding affinities to the pre-synaptic serotonin and norepinephrine transporters. By blocking both transporters, this agent prolongs neurotransmitter activities of both serotonin and norepinephrine, thereby alleviating depressive state.

CAS Number386750-22-7
PubChem CID6918664
IUPAC Namebutanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
Molecular FormulaC20H33NO7
Molecular Weight399.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity359
SMILES
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O
InChI
InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
InChIKey
PWPDEXVGKDEKTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desvenlafaxine Succinate
CAS: 386750-22-7
CID: 6918664
Formula: C20H33NO7
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass399.22570239
Monoisotopic Mass399.22570239
Topological Polar Surface Area119 Ų
Heavy Atom Count28
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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