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Details

Stereochemistry RACEMIC
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLPROPANOL

SMILES

CCC(O)C1=CC=CC=C1

InChI

InChIKey=DYUQAZSOFZSPHD-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

HIDE SMILES / InChI
Molecular Formula C9H12O
Molecular Weight 136.191
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description
Curator's Comment: Description was created based on several sources, including http://www.ncbi.nlm.nih.gov/pubmed/14376256

Phenylpropanol is used as a heat transfer medium, in perfumery, and as a choleretic; used as a flavoring agent. It is used clinically as choleretic drug.

Approval Year

2014
494
Targets

Targets

Primary TargetPharmacologyConditionPotency
Activator
1430
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
Gallenperlen

Approved Use

Indications: biliary-tract disorders
PubMed

PubMed

TitleDatePubMed
Chromatographic separation of phenylpropanol enantiomers on a quinidine carbamate-type chiral stationary phase.
2005 Oct 14
Symmetrically tetrasubstituted [2.2]paracyclophanes: their systematization and regioselective synthesis of several types of bis-bifunctional derivatives by double electrophilic substitution.
2008
Patents

Patents

US2016058717
3
US2016074843
1
US2016075647
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:02:27 GMT 2023
Edited
by admin
on Fri Dec 15 18:02:27 GMT 2023
Record UNII
0F897O3O4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLPROPANOL
INCI   JAN   MART.  
INCI  
Official Name English
.ALPHA.-ETHYLBENZYL ALCOHOL
MI  
Systematic Name English
PHENYLPROPANOL [INCI]
Common Name English
Ethylbenzyl alcohol [WHO-DD]
Common Name English
NSC-25504
Code English
ETHYLBENZYL ALCOHOL
WHO-DD  
Systematic Name English
1-PHENYL-1-PROPANOL [FHFI]
Code English
.ALPHA.-ETHYLBENZYL ALCOHOL [MI]
Common Name English
FEMA NO. 2884
Code English
PHENYLPROPANOL [MART.]
Common Name English
PHENYLPROPANOL [JAN]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 1-PHENYL-1-PROPANOL
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
Code System Code Type Description
MERCK INDEX
m5093
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY Merck Index
CAS
93-54-9
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
FDA UNII
0F897O3O4M
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
EVMPD
SUB33003
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PRIMARY
NSC
25504
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PRIMARY
DRUG CENTRAL
2148
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PRIMARY
JECFA MONOGRAPH
807
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PRIMARY
EPA CompTox
DTXSID2044474
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PRIMARY
ChEMBL
CHEMBL1397202
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PRIMARY
DAILYMED
0F897O3O4M
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
RXCUI
2475178
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PRIMARY
SMS_ID
100000126064
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-256-0
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
MESH
C439395
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
EVMPD
SUB13755MIG
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
PUBCHEM
7147
Created by admin on Fri Dec 15 18:02:27 GMT 2023 , Edited by admin on Fri Dec 15 18:02:27 GMT 2023
PRIMARY
NIH
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