CAS 741705-70-4 manufacturers and suppliers on PharmaCompass

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Also known as: D-threo-ritalinic acid hydrochloride, Mk6ct5px5d, 2iey1kk135, Methylphenidate acid hydrochloride, d-, 741705-70-4, Ritalinic acid hydrochloride, d-threo-
Molecular Formula
C13H18ClNO2
Molecular Weight
255.74  g/mol
InChI Key
SCUMDQFFZZGUQY-MNMPKAIFSA-N
FDA UNII
MK6CT5PX5D

CAS 741705-70-4
1 2D Structure

CAS 741705-70-4

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 Other Identifiers
2.2.1 UNII
MK6CT5PX5D
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. D-threo-ritalinic Acid Hydrochloride

2. Mk6ct5px5d

3. 2iey1kk135

4. Methylphenidate Acid Hydrochloride, D-

5. 741705-70-4

6. Ritalinic Acid Hydrochloride, D-threo-

7. Methylphenidate Related Compound A [usp-rs]

8. Alpha-phenyl-2-piperidineacetic Acid Hydrochloride

9. Methylphenidate Related Compound A

10. Unii-mk6ct5px5d

11. Unii-2iey1kk135

12. Q27254783

13. (2r)-2-phenyl-2-[(2r)-piperidin-2-yl]acetic Acid Hydrochloride

14. 2-piperidineacetic Acid, Alpha-phenyl-, Hydrochloride, (alphar,2r)-

15. 2-piperidineacetic Acid, Alpha-phenyl-, Hydrochloride (1:1), (alphar,2r)-

16. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,2r)-

17. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,2r)-rel-

18. 2-piperidineacetic Acid, .alpha.-phenyl-, Hydrochloride, (.alpha.r,2r)-

2.4 Create Date
2010-12-27
3 Chemical and Physical Properties
Molecular Weight 255.74 g/mol
Molecular Formula C13H18ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass255.1026065 g/mol
Monoisotopic Mass255.1026065 g/mol
Topological Polar Surface Area49.3 Ų
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

BUILDING BLOCK

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