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Chemical structure of Tolcapone-d4

GC45763

Tolcapone-d4

Also known as (3,4-dihydroxy-5-nitrophenyl)-(2,3,5,6-tetradeuterio-4-methylphenyl)methanone

An internal standard for the quantification of tolcapone

ChemicalCAS1246816-93-2MW277.3FormulaC14H7D4NO5
CAS number
1246816-93-2
Molecular weight
277.3
Formula
C14H7D4NO5
Solubility
DMSO： slightly soluble,Methanol： slightly soluble
InChIKey
MIQPIUSUKVNLNT-QFFDRWTDSA-N
Catalogue number
GC45763
Brand
GLPBIO
Computed properties PubChem CID 71752606 · XLogP 3.3 · TPSA 103 Ų · H-bond donors 2
XLogP
3.3
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

SMILES [2H]C1=C(C(=C(C(=C1C)[2H])[2H])C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])[2H]

Computed descriptors from PubChem (CID 71752606), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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