(±) -Threo-ethylphenidate hydrochloride

CAT: 0926-PIA14946-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-PIA14946-01Size:25 mg

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CAS Number

214149-46-9

MDL Number

MFCD30718185

Smiles

CCOC (=O) C (C1CCCCN1) C2=CC=CC=C2.Cl

Molecular Formula

C15H22ClNO2

Molecular Weight

283.79 g/mol

Controlled

Yes

Chemical Information

(S)-Ethyl 2-phenyl-2-((S)-piperidin-2-yl)acetate hydrochloride

CAS Number	214149-46-9
PubChem CID	11358065
IUPAC Name	ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
Molecular Formula	C15H22ClNO2
Molecular Weight	283.79
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	261

SMILES

CCOC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H/t13-,14-;/m0./s1

InChIKey

ZNSNAOXTBUHNKX-IODNYQNNSA-N

Chemical Structure

2D Structure

CAS: 214149-46-9

CID: 11358065

Formula: C15H22ClNO2

MW: 283.79

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.79
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	283.1339066
Monoisotopic Mass	283.1339066
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	261
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	2
Compound Is Canonicalized	Yes

Catalog	Name
ZDA08850-01	Propylphenidate hydrochloride, threo, racemic
FT28254-01	DL-threo-methylphenidate hydrochloride
PFA88965-01	D-Threo-ppmp hydrochloride
EBA41995-01	L-Threo-methylphenidate hydrochloride
FT28256-01	L-threo-methylphenidate hydrochloride
FT28253	Threo-ICI 118551 hydrochloride
DAC91015-01	DL-threo-4-fluoromethylphenidate hydrochloride
BCA82999-01	D-Threo-3,4-dihydroxyphenylserine hydrochloride
EDC55663-01	D, L-Threo-droxidopa-13C2,15N hydrochloride
HIA27887-01	L-Threo-ppmp

Catalog	Name
TRC-E925630-100MG	rac-threo-Ethylphenidate Hydrochloride
TRC-E925635-50MG	D-threo-Ethylphenidate Hydrochloride
TRC-E925636-50MG	L-threo-Ethylphenidate Hydrochloride
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TRC-E925625-5MG	D-erythro-Ethylphenidate Hydrochloride
TRC-E925626-25MG	L-erythro-Ethylphenidate Hydrochloride
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