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About This Item
Empirical Formula (Hill Notation):
C4H6N2
CAS Number:
Molecular Weight:
82.10
Beilstein/REAXYS Number:
105204
EC Number:
MDL number:
UNSPSC Code:
12352204
refractive index
n20/D 1.495 (lit.)
bp
99-100 °C/6 mmHg (lit.)
density
0.993 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Cc1cn[nH]c1
InChI
1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChI key
RIKMMFOAQPJVMX-UHFFFAOYSA-N
Gene Information
human ... ADH1A(124) , ADH1B(125) , ADH1C(126)
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Application
Useful as an antidote in methanol and ethylene glycol poisoning.
Biochem/physiol Actions
Alcohol dehydrogenase inhibitor
replaced by
Product No.
Description
Pricing
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
204.8 °F - closed cup
flash_point_c
96 °C - closed cup
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Zhichao Liu et al.
PLoS computational biology, 7(12), e1002310-e1002310 (2011-12-24)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI types (hepatotoxic side effects) seen in the clinic can be translated
Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this
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