B0383
Benzil
Synonym(s):
Dibenzoyl, Diphenylethanedione
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About This Item
Linear Formula:
C6H5COCOC6H5
CAS Number:
Molecular Weight:
210.23
EC Number:
205-157-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
608047
MDL number:
vapor pressure
1 mmHg ( 128.4 °C)
mp
94-95 °C (lit.)
SMILES string
O=C(c1ccccc1)C(=O)c2ccccc2
InChI
1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChI key
WURBFLDFSFBTLW-UHFFFAOYSA-N
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
356.0 °F - closed cup
flash_point_c
180 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Craig E Wheelock et al.
Bioorganic & medicinal chemistry, 16(4), 2114-2130 (2007-11-21)
Carboxylesterases metabolize numerous exogenous and endogenous ester-containing compounds including the chemotherapeutic agent CPT-11, anti-influenza viral agent oseltamivir, and many agrochemicals. Trifluoromethyl ketone (TFK)-containing compounds with a sulfur atom beta to the ketone moiety are some of the most potent carboxylesterase
Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils.
Latorya D Hicks et al.
Bioorganic & medicinal chemistry, 15(11), 3801-3817 (2007-04-03)
We have synthesized and assessed the ability of symmetrical fluorobenzoins and fluorobenzils to inhibit mammalian carboxylesterases (CE). The majority of the latter were excellent inhibitors of CEs however unexpectedly, the fluorobenzoins were very good enzyme inhibitors. Positive correlations were seen
Janice L Hyatt et al.
Journal of medicinal chemistry, 48(17), 5543-5550 (2005-08-19)
Benzil has been identified as a potent selective inhibitor of carboxylesterases (CEs). Essential components of the molecule required for inhibitory activity include the dione moiety and the benzene rings, and substitution within the rings affords increased selectivity toward CEs from