beflubutamid (Q22712766)

Beflubutamid (English)

14 October 2016

chemical formula

C₁₈H₁₇F₄NO₂

1 reference

Beflubutamid (English)

14 October 2016

canonical SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC2=CC(=C(C=C2)F)C(F)(F)F

1 reference

Beflubutamid (English)

InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)

14 October 2016

Identifiers

InChI

1 reference

Beflubutamid (English)

FFQPZWRNXKPNPX-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Beflubutamid (English)

14 October 2016

2 references

UNII

YW9853IQ3U

beflubutamid (English)

FFQPZWRNXKPNPX-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=113614-08-7

1 reference

beflubutamid (English)

14 October 2016

1 reference

Beflubutamid (English)

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

14 October 2016

ChEBI ID

138203

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

SureChEMBL ID

SCHEMBL115747

1 reference

based on heuristic

inferred from InChIKey

1 reference

0 references

1 reference

DSSTOX compound identifier

DTXCID1031709

0 references

EC number

601-267-1

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.129.750

27 December 2018

ECHA Substance Infocard ID

(RS)-N-benzyl-2-(α,α,α,4-tetrafluoro-m-tolyoxy)butyramide (English)

quotation

CAS no.: 113614-08-7 (English)

100.129.750

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.129.750

27 December 2018

PesticideInfo chemical ID

(RS)-N-benzyl-2-(α,α,α,4-tetrafluoro-m-tolyoxy)butyramide (English)

quotation

CAS no.: 113614-08-7 (English)

0 references

1 reference

Global Substance Registration System

UNII

YW9853IQ3U