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Details

Stereochemistry RACEMIC
Molecular Formula C12H17ClO2
Molecular Weight 228.715
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FENPENTADIOL

SMILES

CC(C)(O)CC(C)(O)C1=CC=C(Cl)C=C1

InChI

InChIKey=SNJDSTGQYRTZJT-UHFFFAOYSA-N
InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H17ClO2
Molecular Weight 228.715
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

PubMed

PubMed

TitleDatePubMed
[Studies on a possible teratogenic action of fenpentadiol in mice and rats].
1971 Jan
[Psychotropic activity under the influence of fenpentadiol].
1971 Jan
Patents

Sample Use Guides

LD50 in male, female mice, rats (mg/kg): 940, 995, 1200, 1250 orally
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:36:53 UTC 2023
Edited
by admin
on Fri Dec 15 16:36:53 UTC 2023
Record UNII
BLO7300903
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FENPENTADIOL
INN   MART.   MI  
INN  
Official Name English
FENPENTADIOL [MI]
Common Name English
RD-292
Code English
2-(P-CHLOROPHENYL)-4-METHYL-2,4-PENTANEDIOL
Systematic Name English
2,4-PENTANEDIOL, 2-(P-CHLOROPHENYL)-4-METHYL-
Systematic Name English
Fenpentadiol [WHO-DD]
Common Name English
FENPENTADIOL [MART.]
Common Name English
TREDUM
Common Name English
fenpentadiol [INN]
Common Name English
FENTREDUM
Common Name English
RD 292
Code English
1-(P-CHLOROPHENYL)-1,3,3-TRIMETHYL-1,3-PROPANEDIOL
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
Code System Code Type Description
WIKIPEDIA
Fenpentadiol
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
MESH
C004997
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
CAS
15687-18-0
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-782-5
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
SMS_ID
100000081483
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
EVMPD
SUB07585MIG
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106273
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
DRUG CENTRAL
1158
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID9023047
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
MERCK INDEX
m730
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY Merck Index
INN
2006
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
PUBCHEM
85896
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
NCI_THESAURUS
C65664
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
FDA UNII
BLO7300903
Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY