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Deudextromethorphan-d6

CAT: 1596-AR-D06012-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06012-02Size:25 Units
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CAS Number
1079043-55-2
Synonyms
3-[ (2H3) methoxy]-17-[ (2H3) methyl]-ent-morphinan; (9α,13α,14α) -3- (Methoxy-d3) -17- (methyl-d3) morphinan (ACI) ; (9S,13S,14S) -3- (Trideuteriomethoxy) -17- (trideuteriomethyl) morphinan
Molecular Formula
C18H19D6NO
Molecular Weight
277.43
API Name
Dextromethorphan

Chemical Information

Deudextromethorphan

Deudextromethorphan is under investigation in clinical trial NCT02153502 (Efficacy, Safety, and Tolerability Study of AVP-786 as an Adjunctive Therapy in Patients With Major Depressive Disorder With an Inadequate Response to Antidepressant Treatment).

CAS Number1079043-55-2
PubChem CID25052519
IUPAC Name(1S,9S,10S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular FormulaC18H25NO
Molecular Weight277.4
XLogP3.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
[2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC([2H])([2H])[2H]
InChI
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1/i1D3,2D3
InChIKey
MKXZASYAUGDDCJ-QNNIAVNKSA-N
Chemical Structure
2D Structure
2D structure of Deudextromethorphan
CAS: 1079043-55-2
CID: 25052519
Formula: C18H25NO
MW: 277.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass277.231274897
Monoisotopic Mass277.231274897
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count6
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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