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Diphenhydramine-d6 N-Oxide

CAT: 0572-TRC-D486917-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D486917-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346603-42-6
Synonyms
2-(Diphenylmethoxy)-N,N-(dimethyl-d6)ethanamine N-Oxide; [(Dimethyl-d6)amino]ethyl Benzhydryl Ether N-Oxide; NSC 9091-d6;
Hazard Statement
No Data Available
Smiles
O=N(C([2H])([2H])[2H])(C([2H])([2H])[2H])CCOC(C1=CC=CC=C1)C2=CC=CC=C2
Molecular Formula
C17H15D6NO2
Molecular Weight
277.39
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Diphenhydramine-d6 N-Oxide
CAS Number1346603-42-6
PubChem CID131667762
IUPAC Name2-benzhydryloxy-N,N-bis(trideuteriomethyl)ethanamine oxide
Molecular FormulaC17H21NO2
Molecular Weight277.39
XLogP2.7
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity250
SMILES
[2H]C([2H])([2H])[N+](CCOC(C1=CC=CC=C1)C2=CC=CC=C2)(C([2H])([2H])[2H])[O-]
InChI
InChI=1S/C17H21NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/i1D3,2D3
InChIKey
OEQNVWKWQPTBSC-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Diphenhydramine-d6 N-Oxide
CAS: 1346603-42-6
CID: 131667762
Formula: C17H21NO2
MW: 277.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.39
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass277.194889388
Monoisotopic Mass277.194889388
Topological Polar Surface Area27.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity250
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-98468Diphenhydramine-d6 N-Oxide
HY-135740S-01Diphenhydramine N-​Oxide-d6
272810-01Diphenhydramine N-oxide
NAA16800-01Diphenhydramine N-oxide hydrochloride
AR-D05948-01Diphenhydramine N-Oxide HCl
sc-497031Diphenhydramine-d6 N-β-D-Glucuronide
CS-T-61180Rizatriptan-d6-N-Oxide
HY-141783S-01Clomipramine N-Oxide-d6
HY-132343S-01Zolmitriptan N-Oxide-d6
460679-01Netupitant N-Oxide-d6

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