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Desalkyl Ebastine-d5

CAT: 0572-TRC-D288772-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288772-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189424-36-9
Synonyms
4-(Diphenylmethoxy-d5)piperidine; 4-(Benzhydryloxy-d5)piperidine;
Hazard Statement
No Data Available
Smiles
[2H]C(C([2H])=C([2H])C([2H])=C1[2H])=C1C(OC2CCNCC2)C3=CC=CC=C3
Molecular Formula
C18H16D5NO
Molecular Weight
272.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-[(2,3,4,5,6-Pentadeuteriophenyl)-phenylmethoxy]piperidine
CAS Number1189424-36-9
PubChem CID46781117
IUPAC Name4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]piperidine
Molecular FormulaC18H21NO
Molecular Weight272.4
XLogP3.4
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity245
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)OC3CCNCC3)[2H])[2H]
InChI
InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2/i1D,3D,4D,7D,8D
InChIKey
OQAOREVBRZVXDS-DYVTXVBDSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2,3,4,5,6-Pentadeuteriophenyl)-phenylmethoxy]piperidine
CAS: 1189424-36-9
CID: 46781117
Formula: C18H21NO
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass272.193698023
Monoisotopic Mass272.193698023
Topological Polar Surface Area21.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity245
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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008273Desalkyl Ebastine-d5
008272Desalkyl Ebastine
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CS-O-10173Ebastine-d5
sc-280797Hydroxy Ebastine-d5
HY-143955S-01Ebastine-d5 (fumarate)
AR-E01009-01Ebastine-d5 Fumarate
AR-E09238-01Ebastine-d5 (Piperidine-ring-d5)
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sc-497373Ebastine-d5 N-Oxide

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