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CP 80633

CAT: 0607-B7162-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7162-10Size:10 mg
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Description
PDE4 inhibitor
CAS Number
135637-46-6
Product Name Alternative
5-(3-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yloxy)-4-methoxyphenyl)tetrahydropyrimidin-2(1H)-one
Field of Research
Metabolism PDE
Purity
≥95.00%
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C(NC1)NCC1C2=CC(O[C@H]3[C@H](CC4)C[C@H]4C3)=C(C=C2)OC
Molecular Formula
C18H24N2O3
Molecular Weight
316.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Atizoram

2(1h)-pyrimidinone, 5-[3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro- is a monoterpenoid.

CAS Number135637-46-6
PubChem CID9861730
IUPAC Name5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
Molecular FormulaC18H24N2O3
Molecular Weight316.4
XLogP2.6
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity434
SMILES
COC1=C(C=C(C=C1)C2CNC(=O)NC2)O[C@H]3C[C@@H]4CC[C@H]3C4
InChI
InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1
InChIKey
LITNEAPWQHVPOK-FFSVYQOJSA-N
Chemical Structure
2D Structure
2D structure of Atizoram
CAS: 135637-46-6
CID: 9861730
Formula: C18H24N2O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass316.17869263
Monoisotopic Mass316.17869263
Topological Polar Surface Area59.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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