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Felbamate hydrate

CAT: 0607-B1145-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1145-50Size:50 mg
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Description
N-methyl-D-aspartate (NMDA) inhibitor
CAS Number
1177501-39-1
Product Name Alternative
2-phenylpropane-1,3-diyl bis(hydrogen carbonimidate) hydrate
Field of Research
Membrane Transporter Ion Channel NMDA Receptor
Purity
0.98
Solubility
Soluble in DMSO
Smiles
N=C(OCC(C1=CC=CC=C1)COC(O)=N)O.O
Molecular Formula
C11H16N2O5
Molecular Weight
256.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Felbamate hydrate
CAS Number1177501-39-1
PubChem CID23581812
IUPAC Name(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
Molecular FormulaC11H16N2O5
Molecular Weight256.25
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity246
SMILES
C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N.O
InChI
InChI=1S/C11H14N2O4.H2O/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15);1H2
InChIKey
SURCBXDHJRINFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Felbamate hydrate
CAS: 1177501-39-1
CID: 23581812
Formula: C11H16N2O5
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.25
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass256.10592162
Monoisotopic Mass256.10592162
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity246
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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