Methylphenidate EP Impurity D

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CAT#:1596-AR-M02508-04Size:100 Units

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CAS Number

50288-63-6

Synonyms

(2RS) -2-phenyl-2-[ (2SR) -piperidin-2-yl]acetamide (as per EP) . (D, L) -erythro-alpha-Phenyl-2-piperidineacetamide

Molecular Formula

C13H18N2O

Molecular Weight

218.29

API Name

Methylphenidate

Chemical Information

(2S)-2-Phenyl-2-[(2R)-piperidin-2-yl]acetamide

CAS Number	50288-63-6
PubChem CID	12112798
IUPAC Name	(2S)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
Molecular Formula	C13H18N2O
Molecular Weight	218.29
XLogP	-0.8
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	236

SMILES

C1CCN[C@H](C1)[C@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)/t11-,12+/m1/s1

InChIKey

LJLMNWPXAYKPGV-NEPJUHHUSA-N

Chemical Structure

2D Structure

CAS: 50288-63-6

CID: 12112798

Formula: C13H18N2O

MW: 218.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.29
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	218.141913202
Monoisotopic Mass	218.141913202
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M03365-01	Methylphenidate EP Impurity B
AR-M03388-01	Methylphenidate EP Impurity E
AR-M02507-01	Methylphenidate EP Impurity C
AR-M03299-01	N-Nitroso Methylphenidate EP Impurity A
AR-T02873-01	Tretinoin EP Impurity D (Isotretinoin EP Impurity D)
AR-M01646-01	Methylphenidate Impurity 1
AR-D02620-01	Ebastine EP Impurity A (Diphenhydramine EP Impurity D)
AR-C07346-01	Colchicine Impurity D (Thiocolchicoside EP Impurity D)
AR-D01686-01	Dibucaine Impurity D (Cinchocaine EP Impurity D)
AR-L01140-01	Rabeprazole EP Impurity K (Lansoprazole EP Impurity D)

Catalog	Name
CS-CR-00003	Methylphenidate EP Impurity C
RM-M052316-01	Methylphenidate Hydrochloride Impurity 16
RM-M052309-01	Methylphenidate Hydrochloride Impurity 9
RM-M052310-01	Methylphenidate Hydrochloride Impurity 10
RM-M052301-01	Methylphenidate hydrochloride EP Impurity A
CS-EO-00614	Methylphenidate EP Impurity E
RM-M052308-01	Methylphenidate Hydrochloride Impurity 8
RM-M052307-01	Methylphenidate Hydrochloride Impurity 7
RM-M052312-01	Methylphenidate Hydrochloride Impurity 12
RM-M052311-01	Methylphenidate Hydrochloride Impurity 11