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50700-49-7

50700-49-7 structure
50700-49-7 structure
  • Name: N-Acetylimidoquinone
  • Chemical Name: N-acetyl-1,4-benzoquinone imine
  • CAS Number: 50700-49-7
  • Molecular Formula: C8H7NO2
  • Molecular Weight: 149.147
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2018-08-17 20:11:28
  • Modify Date: 2025-08-21 12:21:56
  • NAPQI is the toxic metabolite of Paracetamol. NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver[1][2].
Name N-acetyl-1,4-benzoquinone imine
Synonyms Acetimidoquinone
N-Acetyl-1,4-benzoquinone imine
N-Acetyl-p-benzoquinonimine
p-benzoquinonimine, N-acetyl-
N-(4-Oxo-2,5-cyclohexadien-1-ylidene)acetamide
N-Acetyl-P-benzoquinoneimine
N-Acetyl-4-benzoquinone Imine
N-acetyl-4-benzoquinoneimine
Acetamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
N-(4-Oxocyclohexa-2,5-dien-1-ylidene)acetamide
NAPQI
N-(4-Oxo-1-cyclohexa-2,5-dienylidene)acetamide,N-Acetyl-p-benzo-quinoneimine,NAPQI
Description NAPQI is the toxic metabolite of Paracetamol. NAPQI is also an inhibitor of enzymes in the vitamin K cycle. NAPQI is rapidly detoxified by glutathione (GSH), but in situations of GSH deficiency, excess NAPQI reacts with cysteine residues in proteins, causing cell death and toxicity in the liver[1][2].
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Jiang D, et al. Organ-Specific Screening for Protein Damage Using Magnetic Bead Bioreactors and LC-MS/MS. Anal Chem. 2020 Apr 7;92(7):5337-5345.

[2]. Thijssen HH, et al. Paracetamol (acetaminophen) warfarin interaction: NAPQI, the toxic metabolite of paracetamol, is an inhibitor of enzymes in the vitamin K cycle. Thromb Haemost. 2004 Oct;92(4):797-802.
Density 1.1±0.1 g/cm3
Boiling Point 255.6±43.0 °C at 760 mmHg
Melting Point 74-75ºC
Molecular Formula C8H7NO2
Molecular Weight 149.147
Flash Point 101.6±33.5 °C
Exact Mass 149.047684
PSA 46.50000
LogP 0.38
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.545
Storage condition -20°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC6960000
CHEMICAL NAME :
Acetamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS REGISTRY NUMBER :
50700-49-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N-O2
MOLECULAR WEIGHT :
149.16
WISWESSER LINE NOTATION :
L6V DYJ DUNV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Blood - change in clotting factors
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 25,885,1982
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS AC6960000
HS Code 2924299090
HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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