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Methylphenidate-d10 (Major) Hydrochloride

CAT: 0572-TRC-M325882-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M325882-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246819-19-1
Synonyms
α-Phenyl-2-piperidineacetic Acid-d10 Methyl Ester Hydrochloride; Methyl Phenidylacetate-d10 Hydrochloride; Methylphenidan-d10 Hydrochloride; Ciba 4311b-d10; Centedrin-d10; Centedrine-d10; Concerta-d10; Medikinet-d10; Meridil-d10; Metadate CD-d10; NSC 169868-d10; Ritalin-d10 Hydrochloride; Ritalin SR-d10;
Hazard Statement
Harmful if swallowed.
Smiles
O=C(OC)C(C1=CC=CC=C1)([2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N2.Cl
Molecular Formula
C14H10D10ClNO2
Molecular Weight
279.83
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methylphenidate-d10 (Major) Hydrochloride
CAS Number1246819-19-1
PubChem CID71750543
IUPAC Namemethyl 2-deuterio-2-(2,3,3,4,4,5,5,6,6-nonadeuteriopiperidin-2-yl)-2-phenylacetate;hydrochloride
Molecular FormulaC14H20ClNO2
Molecular Weight279.83
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity249
SMILES
[2H]C1(C(C(NC(C1([2H])[2H])([2H])C([2H])(C2=CC=CC=C2)C(=O)OC)([2H])[2H])([2H])[2H])[2H].Cl
InChI
InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/i5D2,6D2,9D2,10D2,12D,13D;
InChIKey
JUMYIBMBTDDLNG-SCUWXHHUSA-N
Chemical Structure
2D Structure
2D structure of Methylphenidate-d10 (Major) Hydrochloride
CAS: 1246819-19-1
CID: 71750543
Formula: C14H20ClNO2
MW: 279.83
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass279.1810240
Monoisotopic Mass279.1810240
Topological Polar Surface Area38.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity249
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes