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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O2
Molecular Weight 136.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLACETIC ACID

SMILES

OC(=O)CC1=CC=CC=C1

InChI

InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

HIDE SMILES / InChI
Molecular Formula C8H8O2
Molecular Weight 136.1479
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:18:30 UTC 2023
Edited
by admin
on Fri Dec 15 15:18:30 UTC 2023
Record UNII
ER5I1W795A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLACETIC ACID
FCC   FHFI   MI  
Systematic Name English
PHENYLACETIC ACID [MI]
Common Name English
TROPICAMIDE IMPURITY D [EP IMPURITY]
Common Name English
PHENYLACETIC ACID [HSDB]
Common Name English
NSC-125718
Code English
.ALPHA.-TOLUIC ACID
Systematic Name English
FEMA NO. 2878
Code English
BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY B { EP IMPURITY]
Common Name English
PROCAINE BENZYLPENICILLIN IMPURITY E [EP IMPURITY]
Common Name English
.OMEGA.-PHENYLACETIC ACID
Common Name English
PHENYLACETIC ACID [FCC]
Common Name English
BENZYLPENICILLIN SODIUM IMPURITY B [EP IMPURITY]
Common Name English
TROPICAMIDE RELATED COMPOUND D [USP IMPURITY]
Common Name English
ACETIC ACID, PHENYL-
Systematic Name English
2-PHENYLACETIC ACID
Systematic Name English
BENZYLPENICILLIN POTASSIUM IMPURITY B [EP IMPURITY]
Common Name English
ASTUGENAL COMPONENT PHENYLACETIC ACID
Common Name English
PHENYLACETIC ACID [FHFI]
Common Name English
TROPICAMIDE RELATED COMPOUND D [USP-RS]
Common Name English
ANTINEOPLASTON AS2-1 COMPONENT PHENYLACETIC ACID
Common Name English
ANTINEOPLASTON AS 2-1 COMPONENT PHENYLACETIC ACID
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
DEA NO. 8791
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
NDF-RT N0000175807
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
FDA ORPHAN DRUG 267408
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
NDF-RT N0000175806
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
JECFA EVALUATION PHENYLACETIC ACID
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
DEA NO. 8791
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
FDA ORPHAN DRUG 189804
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C77487
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
HSDB
5010
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
WIKIPEDIA
PHENYLACETIC ACID
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
SMS_ID
100000172583
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
MESH
C025136
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
RS_ITEM_NUM
1699049
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
CAS
103-82-2
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
DRUG BANK
DB09269
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
DAILYMED
ER5I1W795A
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
CHEBI
30745
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
203-148-6
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
PUBCHEM
999
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
CONCEPT Industrial Aid
FDA UNII
ER5I1W795A
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
DRUG CENTRAL
4624
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID2021656
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
RXCUI
33332
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C1613
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
ALTERNATIVE
MERCK INDEX
m8650
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY Merck Index
JECFA MONOGRAPH
940
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
NSC
125718
Created by admin on Fri Dec 15 15:18:31 UTC 2023 , Edited by admin on Fri Dec 15 15:18:31 UTC 2023
PRIMARY
Related Record Type Details
Structure of Sodium phenylacetate
SALT/SOLVATE -> PARENT
Structure of ORNITHINE PHENYLACETATE
SALT/SOLVATE -> PARENT
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Structure of PHENYLBUTYRIC ACID
PRODRUG -> METABOLITE ACTIVE
The active molecule that combines with glutamine (an amino acid with two nitrogen molecules) to form phenylacetylglutamine which is rapidly excreted by the kidneys and does not require metabolism via the urea cycle. Phenylbutyrate thus provides an “ammonia sink”, an alternative pathway for excretion of excess nitrogen and ammonia. The active metabolite phenylacetate is also effective therapeutically, but has a disagreeable odor and taste that affect compliance and acceptability.
Structure of LISDEXAMFETAMINE
PARENT -> METABOLITE
Structure of AMPHETAMINE
PARENT -> METABOLITE
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Structure of PENICILLIN G BENZATHINE
PARENT -> IMPURITY
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impurity D at 210 nm
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Structure of METHYLPHENIDATE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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Structure of PENICILLIN G POTASSIUM
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EP
Structure of PENICILLIN G SODIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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Structure of TROPICAMIDE
PARENT -> IMPURITY
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Related Record Type Details
Structure of PHENYLACETIC ACID
ACTIVE MOIETY
NIH
NCATS
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