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Chemical structure of Acetaminophen-d7

GC75977

Acetaminophen-d7

Also known as 2,2,2-trideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide

Acetaminophen-d7 is the deuterium labeled Acetaminophen

ChemicalCAS1219798-53-4MW158.21FormulaC8H2D7NO2
CAS number
1219798-53-4
Molecular weight
158.21
Formula
C8H2D7NO2
Solubility
DMSO： 250 mg/mL (1580·18 mM; Need ultrasonic); H2O： 10 mg/mL (63·21 mM; Need ultrasonic)
InChIKey
RZVAJINKPMORJF-AAYPNNLASA-N
Catalogue number
GC75977
Brand
GLPBIO
Computed properties PubChem CID 131869277 · XLogP 0.5 · TPSA 49.3 Ų · H-bond donors 2
XLogP
0.5
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

SMILES [2H]C1=C(C(=C(C(=C1NC(=O)C([2H])([2H])[2H])[2H])[2H])O)[2H]

Computed descriptors from PubChem (CID 131869277), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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