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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O4S
Molecular Weight 256.318
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENFURESATE

SMILES

CCS(=O)(=O)OC1=CC=C2OCC(C)(C)C2=C1

InChI

InChIKey=QGQSRQPXXMTJCM-UHFFFAOYSA-N
InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C12H16O4S
Molecular Weight 256.318
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays.
2011 Feb 27
Patents

Patents

04162154
2
04222767
2
JP2000503297A
6
JP2001039803A
1
JP2002145705A
4
JP2002518303A
71
JP2004189679A
1
JP2005533844A
13
JP2006528217A
38
JP2007055985A
3
JP2008266170A
12
JP2009013127A
8
JP2010163411A
18
JP4118948B2
6
JP4646403B2
50
JP4676668B2
26
JP4733269B2
51
JP4737988B2
23
JP4739752B2
53
JPH00228101A
2
JPH0228101A
2
JPH04247002A
2
JPH05124912A
2
JPH06263610A
2
JPH06271407A
2
JPH0687706A
3
JPH07173020A
1
JPH09208416A
1
JPH09295905A
2
JPH10182316A
1
JPH1179912A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:36:13 GMT 2023
Edited
by admin
on Fri Dec 15 18:36:13 GMT 2023
Record UNII
5E3V59Y698
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENFURESATE
ISO  
Common Name English
2,3-DIHYDRO-3,3-DIMETHYLBENZOFURAN-5-YL ETHANESULFONATE
Systematic Name English
2,3-DIHYDRO-3,3-DIMETHYL-5-BENZOFURANYL ETHANESULFONATE
Systematic Name English
BENFURESATE [ISO]
Common Name English
Code System Code Type Description
FDA UNII
5E3V59Y698
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID8058160
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
ALANWOOD
benfuresate
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
MESH
C480688
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
PUBCHEM
3034378
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
270-925-4
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
CAS
68505-69-1
Created by admin on Fri Dec 15 18:36:13 GMT 2023 , Edited by admin on Fri Dec 15 18:36:13 GMT 2023
PRIMARY
NIH
NCATS
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