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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N2O2.H2O
Molecular Weight 224.2563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLETHYLMALONAMIDE HYDRATE

SMILES

O.CCC(C(N)=O)(C(N)=O)C1=CC=CC=C1

InChI

InChIKey=FZSBWHZDTUPYRX-UHFFFAOYSA-N
InChI=1S/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2

HIDE SMILES / InChI

Molecular Formula C11H14N2O2
Molecular Weight 206.2411
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Effects of encapsulation of primidone on its oxidative metabolism in rats.
2001
Simultaneous plasma lamotrigine analysis with carbamazepine, carbamazepine 10,11 epoxide, primidone, phenytoin, phenobarbital, and PEMA by micellar electrokinetic capillary chromatography (MECC).
2003 Jul-Aug
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:02 UTC 2023
Edited
by admin
on Sat Dec 16 11:28:02 UTC 2023
Record UNII
27L1MIN7YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLETHYLMALONAMIDE HYDRATE
Systematic Name English
PROPANEDIAMIDE, 2-ETHYL-2-PHENYL-, HYDRATE (1:1)
Systematic Name English
PROPANEDIAMIDE, 2-ETHYL-2-PHENYL-, MONOHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
2724041
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID30369112
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
FDA UNII
27L1MIN7YR
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
CAS
80866-90-6
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE