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Tilidine Impurity D Hydrochloride

CAT: 0572-TRC-T440305-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T440305-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24811-92-5
Synonyms
Tilidine Hydrochloride Hemihydrate Imp. D (EP); Tilidine Imp. D (EP); Ethyl (2RS)-3-Dimethylamino-2-phenylpropanoate Hydrochloride; Tilidine Hydrochloride Hemihydrate Imp. D (EP) as Hydrochloride; Tilidine Hydrochloride Hemihydrate Impurity D as Hydrochloride; Tilidine Impurity D as Hydrochloride
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cl.CCOC(=O)C(CN(C)C)c1ccccc1
Molecular Formula
C13 H19 N O2 . Cl H
Molecular Weight
257.76
InChI
InChI=1S/C13H19NO2.ClH/c1-4-16-13(15)12(10-14(2)3)11-8-6-5-7-9-11;/h5-9,12H,4,10H2,1-3H3;1H
Additionnal Information
IUPAC name: ethyl 3-(dimethylamino)-2-phenylpropanoate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tilidine Impurity D Hydrochloride
CAS Number24811-92-5
PubChem CID129318404
IUPAC Nameethyl 3-(dimethylamino)-2-phenylpropanoate;hydrochloride
Molecular FormulaC13H20ClNO2
Molecular Weight257.75
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity210
SMILES
CCOC(=O)C(CN(C)C)C1=CC=CC=C1.Cl
InChI
InChI=1S/C13H19NO2.ClH/c1-4-16-13(15)12(10-14(2)3)11-8-6-5-7-9-11;/h5-9,12H,4,10H2,1-3H3;1H
InChIKey
AIQFIJAURGRSOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tilidine Impurity D Hydrochloride
CAS: 24811-92-5
CID: 129318404
Formula: C13H20ClNO2
MW: 257.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass257.1182566
Monoisotopic Mass257.1182566
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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