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117414-74-1

117414-74-1 structural image
Product Name: D-4-[(2E)-3-PHOSPHONO-2-PROPENYL]-2-PIPERAZINECARBOXYLIC ACID
Formula: C8H15N2O5P
Synonyms: (R)-4-[(2E)-3-Phosphono-2-propenyl]-2-piperazinecarboxylic acid, SDZ EAA 494, Midafotel;(R)-CPPene - CAS 117414-74-1 - Calbiochem
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COMPUTED DESCRIPTORS

Molecular Weight 250.19 g/mol
XLogP3 -7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 250.07185858 g/mol
Monoisotopic Mass 250.07185858 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 326
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Midafotel is a member of the class of piperazines that is piperazine substituted by a carboxy group at position 2R and a (1E)-1-phosphonoprop-1-en-3-yl group at position 4. It is an antagonist of N-methyl-D-aspartate receptors (NMDARs) and was in clinical development by Novartis for the treatment of cognition disorders and brain injuries (now discontinued). It has a role as a NMDA receptor antagonist, a neuroprotective agent and an anticonvulsant. It is a piperazinecarboxylic acid, a monocarboxylic acid, a member of phosphonic acids, an olefinic compound and a tertiary amino compound.