N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE 98
Product Information
Molecular Formula
C13H9NO5
Molecular Weight
259.21426
Description
N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE 98, a highly purified (98%) pharmaceutical compound, holds paramount significance in the biomedicine sector. It serves as an essential reagent in synthesizing diverse drugs and drug intermediates, contributing to the treatment of neurodegenerative disorders like Alzheimer's and Parkinson's disease, which are intricately associated with impaired neurotransmission mechanisms.
Synonyms
2-(tetrahydro-2,6-dioxo-2h-pyran-3-yl)-1h-isoindole-3(2h)-dione; 2-(Tetrahydro-2,6-dioxopyran-3-yl)isoin-dole-1,3(2H)-dione; 2-phthalimidoglutaricacidanhydride; 2-phthalimido-glutaricanhydrid; 4-phthalimidoglutaricanhydride; alpha-phthalimidoglutaricanhydride
IUPAC Name
2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione
SMILES
C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2
InChI Key
ICDLEMPZXFCQEB-UHFFFAOYSA-N
Melting Point
197-201 °C (lit.)
Flash Point
Not applicable
Purity
N/A
Safety Information
Hazards
H302 + H312 + H332 - H315 - H319 - H335 - H351
Precautionary Statement
P201 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P308 + P313
Computed Properties
XLogP3
0.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
259.04807239 g/mol
Monoisotopic Mass
259.04807239 g/mol
Topological Polar Surface Area
80.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
448
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
