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Tilidine-d6 Hydrochloride

CAT: 0572-TRC-T440302-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T440302-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217655-15-6
Synonyms
Tilidine-D6 Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])([2H])N([C@H]1C=CCC[C@@]1(C(=O)OCC)c2ccccc2)C([2H])([2H])[2H]
Molecular Formula
C17 2H6 H17 N O2 . Cl H
Molecular Weight
315.87
InChI
InChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17+;/m0./s1/i2D3,3D3;
Additionnal Information
IUPAC name: ethyl (1R,2S)-2-[bis(trideuteriomethyl)amino]-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tilidine-d6 Hydrochloride
CAS Number1217655-15-6
PubChem CID71752578
IUPAC Nameethyl (1R,2R)-2-[bis(trideuteriomethyl)amino]-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride
Molecular FormulaC17H24ClNO2
Molecular Weight315.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity358
SMILES
[2H]C([2H])([2H])N([C@@H]1C=CCC[C@]1(C2=CC=CC=C2)C(=O)OCC)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17-;/m1./s1/i2D3,3D3;
InChIKey
MUWDJVKYGSDUSH-MHKFGTQZSA-N
Chemical Structure
2D Structure
2D structure of Tilidine-d6 Hydrochloride
CAS: 1217655-15-6
CID: 71752578
Formula: C17H24ClNO2
MW: 315.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass315.1872172
Monoisotopic Mass315.1872172
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity358
Isotope Atom Count6
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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