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Pethidine-d5 Hydrochloride

CAT: 0572-TRC-M223902-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M223902-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330180-05-6
Hazard Statement
No Data Available
Smiles
O=C(OCC)C1(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])CCN(C)CC1.Cl
Molecular Formula
C15 H16 D5 N O2 . H Cl
Molecular Weight
288.8
InChI
InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H/i4D,5D,6D,7D,8D;
Additionnal Information
IUPAC name: ethyl 1-methyl-4-(phenyl-d5)piperidine-4-carboxylate, monohydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Meperidine-d5 (hydrochloride)
CAS Number1330180-05-6
PubChem CID71749925
IUPAC Nameethyl 1-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)piperidine-4-carboxylate;hydrochloride
Molecular FormulaC15H22ClNO2
Molecular Weight288.82
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity276
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(CCN(CC2)C)C(=O)OCC)[2H])[2H].Cl
InChI
InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H/i4D,5D,6D,7D,8D;
InChIKey
WCNLCIJMFAJCPX-REAAFBMTSA-N
Chemical Structure
2D Structure
2D structure of Meperidine-d5 (hydrochloride)
CAS: 1330180-05-6
CID: 71749925
Formula: C15H22ClNO2
MW: 288.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass288.1652904
Monoisotopic Mass288.1652904
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity276
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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