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About This Item
Linear Formula:
C6H5CONH2
CAS Number:
Molecular Weight:
121.14
EC Number:
200-227-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
385876
MDL number:
Assay:
99.9%
assay
99.9%
purified by
sublimation
mp
125-128 °C (lit.)
SMILES string
NC(=O)c1ccccc1
InChI
1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChI key
KXDAEFPNCMNJSK-UHFFFAOYSA-N
Gene Information
human ... PARP1(142)
Biochem/physiol Actions
Inhibits poly(ADP-ribose) polymerase (PARP).
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Muta. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
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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M H Gschwend et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 831(1-2), 132-139 (2006-01-03)
The development of a validated liquid chromatography-tandem mass spectrometry (LC-MS/MS) method with positive electrospray ionisation (ESI(+)) and multiple reaction monitoring (MRM) for the selective and sensitive bioanalytical determination of amisulpride, a substituted benzamide derivative, in human plasma is described. Plasma
Jamin D Steffen et al.
Journal of medicinal chemistry, 54(15), 5403-5413 (2011-06-23)
The metabolism of poly(ADP-ribose) (PAR) in response to DNA strand breaks, which involves the concerted activities of poly(ADP-ribose) polymerases (PARPs) and poly(ADP-ribose) glycohydrolase (PARG), modulates cell recovery or cell death depending upon the level of DNA damage. While PARP inhibitors
Hezhi Sun et al.
Journal of the American Society for Mass Spectrometry, 26(5), 826-832 (2015-02-25)
The fragmentations of argentinated N-allylbenzamides have been exhaustively studied through collision-induced dissociation and through deuterium labeling. The intriguing elimination of AgOH is certified as the consequence of intramolecular cyclization between terminal olefin and carbonyl carbon following proton transfer to carbonyl

