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Chemical structure of 3,4-dichloromethylphenidate HCl

GC41678

3,4-dichloromethylphenidate HCl

Also listed as (±)-threo-3,4-Dichloromethylphenidate (hydrochloride)

(±)-threo-3,4-Dichloromethylphenidate (hydrochloride) is an analytical reference material that is structurally categorized as an amphetamine

ChemicalCAS214149-42-5MW338.7FormulaC14H17Cl2NO2•HCl
CAS number
214149-42-5
Molecular weight
338.7
Formula
C14H17Cl2NO2•HCl
Solubility
Soluble in DMSO
InChIKey
DJQISAOWJXQDPU-OJERSXHUSA-N
Catalogue number
GC41678
Brand
GLPBIO
Computed properties PubChem CID 49796220 · TPSA 38.3 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
38.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

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

Computed descriptors from PubChem (CID 49796220), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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