Products for Research Use Only
RegisterLogin

Pleconaril-d8 (Major)

CAT: 0572-TRC-P580352-1MGSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-P580352-1MGSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1346602-36-5
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]c1c(c([2H])c(c(OCCCc2onc(C)c2)c1C([2H])([2H])[2H])C([2H])([2H])[2H])c3noc(n3)C(F)(F)F
Molecular Formula
C18H10D8F3N3O3
Molecular Weight
389.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pleconaril-d8 (Major)
CAS Number1346602-36-5
PubChem CID71751716
IUPAC Name3-[2,6-dideuterio-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]-3,5-bis(trideuteriomethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Molecular FormulaC18H18F3N3O3
Molecular Weight389.4
XLogP4.6
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity471
SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])OCCCC2=CC(=NO2)C)C([2H])([2H])[2H])[2H])C3=NOC(=N3)C(F)(F)F
InChI
InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3/i1D3,2D3,7D,8D
InChIKey
KQOXLKOJHVFTRN-SKJDFIQESA-N
Chemical Structure
2D Structure
2D structure of Pleconaril-d8 (Major)
CAS: 1346602-36-5
CID: 71751716
Formula: C18H18F3N3O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass389.18023990
Monoisotopic Mass389.18023990
Topological Polar Surface Area74.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity471
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-C175844-10MGCarbamazepine-d8(Major)
TRC-C696502-5MGCortisone-D8 (Major)
TRC-C696502-25MGCortisone-d8 (Major)
TRC-C175844-1MGCarbamazepine-d8 (Major)
TRC-B675702-10MGBortezomib-D8 (Major)
TRC-C696502-1MGCortisone-d8 (Major)
TRC-P703743-10MGPrednisolone-d8 (Major)
TRC-O869262-100MGOxcarbazepine-D8 (Major)
TRC-D441873-1MGDienogest-d8 (major)
TRC-D193255-10MGDapsone-D8 (major)

Alternative Products

CatalogName
sc-476662Pleconaril-d8 (Major)
468032Tribenzothiophene-d8 Major
ESS0063-01Norethindrone-D8 (major)
ESS0067-01Norgestimate-D8 (major)
MBS6041459-01Cortisone-d8 (Major)
sc-217786Bortezomib-D8 (Major)
007041Corticosterone-d8 (Major)
sc-477040Prednisolone-d8 (Major)
005583Carbamazepine-d8 (Major)
ESS0065-01Levonorgestrel-D8 (major)

Popular Products