Name: Name:3,4-Dichloromethylphenidate HCl
Brand: Angene
SKU: AG00BEBD
Rating: 90 (10 reviews)

3,4-Dichloromethylphenidate HCl

CAS No.:

214149-42-5

Catalog Number:

AG00BEBD

Molecular Formula:

C14H18Cl3NO2

Molecular Weight:

338.6572

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$139

- +

5mg

≥98%

1 week

United States

$262

- +

50mg

≥98%

1 week

United States

$1082

- +

Product Description

Catalog Number:

AG00BEBD

Chemical Name:

3,4-Dichloromethylphenidate HCl

CAS Number:

214149-42-5

Molecular Formula:

C14H18Cl3NO2

Molecular Weight:

338.6572

MDL Number:

MFCD28040462

IUPAC Name:

methyl (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]acetate;hydrochloride

InChI:

InChI=1S/C14H17Cl2NO2.ClH/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9;/h5-6,8,12-13,17H,2-4,7H2,1H3;1H/t12-,13-;/m1./s1

InChI Key:

DJQISAOWJXQDPU-OJERSXHUSA-N

SMILES:

COC(=O)[C@H](c1ccc(c(c1)Cl)Cl)[C@H]1CCCCN1.Cl

Properties

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.653g/mol

Monoisotopic Mass:

337.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.	Journal of medicinal chemistry 20070531
Synthesis of methylphenidate analogues and their binding affinities at dopamine and serotonin transport sites.	Bioorganic & medicinal chemistry letters 20040405