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5-HT2A agonist 6

CAT: 0013-GTR19264891-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264891-01Size:50 mg
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Description
5-HT2A agonist 6 (compound 2-6) is a 5-HT2A receptor agonist with an EC50 of 1.7 nM. It is applicable in studies of stress-related disorders, including depression, anxiety, and post-traumatic stress disorder.
CAS Number
3044091-48-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=S (=N) (C=1C=C (OC) C (=CC1OC) CCNCC=2C=CC=CC2OC) C
Molecular Formula
C19H26N2O4S
Molecular Weight
378.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CAS Number3044091-48-4
PubChem CID171797156
IUPAC Name2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
Molecular FormulaC19H26N2O4S
Molecular Weight378.5
XLogP3.7
Topological Polar Surface Area89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity524
SMILES
COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)S(=N)(=O)C)OC
InChI
InChI=1S/C19H26N2O4S/c1-23-16-8-6-5-7-15(16)13-21-10-9-14-11-18(25-3)19(26(4,20)22)12-17(14)24-2/h5-8,11-12,20-21H,9-10,13H2,1-4H3
InChIKey
RLCPCENWWRORFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CAS: 3044091-48-4
CID: 171797156
Formula: C19H26N2O4S
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass378.16132849
Monoisotopic Mass378.16132849
Topological Polar Surface Area89 Ų
Heavy Atom Count26
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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