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Overview of D-Threo-Ritalinic Acid HCl

Client Email Product
1382859-13-3
PharmaCompass
1382859-13-3
Also known as: Ritalinic acid hydrochloride, Methylphenidate related compound a, Methylphenidate related compound a [usp-rs], Alpha-phenyl-2-piperidineacetic acid hydrochloride, Unii-2iey1kk135 component scumdqffzzguqy-mnmpkaifsa-n, (alphar,2r)-alpha-phenyl-2-piperidineacetic acid hydrochloride
Molecular Formula
C13H18ClNO2
Molecular Weight
255.742  g/mol
InChI Key
SCUMDQFFZZGUQY-MNMPKAIFSA-N

1 2D Structure

1382859-13-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid;hydrochloride
2.1.2 InChI
InChI=1S/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12-;/m1./s1
2.1.3 InChI Key
SCUMDQFFZZGUQY-MNMPKAIFSA-N
2.1.4 Canonical SMILES
C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O.Cl
2.1.5 Isomeric SMILES
C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ritalinic Acid Hydrochloride

2. Methylphenidate Related Compound A

3. Methylphenidate Related Compound A [usp-rs]

4. Alpha-phenyl-2-piperidineacetic Acid Hydrochloride

5. Unii-2iey1kk135 Component Scumdqffzzguqy-mnmpkaifsa-n

6. (alphar,2r)-alpha-phenyl-2-piperidineacetic Acid Hydrochloride

7. 2-piperidineacetic Acid, Alpha-phenyl-, Hydrochloride (1:1), (alphar,2r)-rel-

8. 1382859-13-3

9. 741705-70-4

2.3 Create Date
2010-12-27
3 Chemical and Physical Properties
Molecular Weight 255.742 g/mol
Molecular Formula C13H18ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass255.103 g/mol
Monoisotopic Mass255.103 g/mol
Topological Polar Surface Area49.3 A^2
Heavy Atom Count17
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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