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Osemozotan Free Base

CAT: 0013-GTR19209008-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209008-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Osemozotan Free Base
CAS Number
137275-81-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CCCNC[C@@H]1OC=2C (OC1) =CC=CC2) C=3C=C4C (=CC3) OCO4
Molecular Formula
C19H21NO5
Molecular Weight
343.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Osemozotan

MN-305 is a novel, potent and highly selective serotonin 5-HT1A receptor agonist under development by MediciNova for the treatment of anxiety disorders beginning with Generalized Anxiety Disorder (GAD).

CAS Number137275-81-1
PubChem CID198747
IUPAC Name3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
Molecular FormulaC19H21NO5
Molecular Weight343.4
XLogP3.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity409
SMILES
C1[C@@H](OC2=CC=CC=C2O1)CNCCCOC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H21NO5/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17/h1-2,4-7,10,15,20H,3,8-9,11-13H2/t15-/m0/s1
InChIKey
MEEQBDCQPIZMLY-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Osemozotan
CAS: 137275-81-1
CID: 198747
Formula: C19H21NO5
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass343.14197277
Monoisotopic Mass343.14197277
Topological Polar Surface Area58.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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