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Ro 8-4304 hydrochloride

CAT: 0607-B7372-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7372-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NMDA receptor antagonist
CAS Number
1312991-77-7
Field of Research
Membrane Transporter Ion Channel NMDA Receptor
Form
Off-white solid
Solubility
<40.69mg/ml in DMSO;insoluble in H2O
Molecular Formula
C21H23FN2O3·HCl
Molecular Weight
406.88
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Ro 8-4304 Hydrochloride
CAS Number1312991-77-7
PubChem CID11957680
IUPAC Name4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide;hydrochloride
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.9
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity512
SMILES
C1CN(CC=C1C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)C(=O)N)O.Cl
InChI
InChI=1S/C21H23FN2O3.ClH/c22-18-5-1-15(2-6-18)16-9-11-24(12-10-16)13-19(25)14-27-20-7-3-17(4-8-20)21(23)26;/h1-9,19,25H,10-14H2,(H2,23,26);1H
InChIKey
MQOXWHKUQOFFJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro 8-4304 Hydrochloride
CAS: 1312991-77-7
CID: 11957680
Formula: C21H24ClFN2O3
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass406.1459485
Monoisotopic Mass406.1459485
Topological Polar Surface Area75.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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