BUTONATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H14Cl3O5P
Molecular Weight	327.527
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTONATE

Structure Search

SMILES

CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC

InChI

InChIKey=BKAQXYNWONVOAX-UHFFFAOYSA-N

InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H14Cl3O5P
Molecular Weight	327.527
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:04:06 UTC 2023` Edited by `admin` on `Fri Dec 15 16:04:06 UTC 2023`
Record UNII	39M9R3Q494
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTONATE

Official Name

English

(RS)-2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINOYL)ETHYL BUTYRATE

Systematic Name

English

TRICHLORFON BUTANOIC ACID ESTER

Common Name

English

butonate [INN]

Common Name

English

NSC-17872

Code

English

TRICHLORFON BUTANOIC ACID ESTER [MI]

Common Name

English

BUTONATE [ISO]

Common Name

English

Butyric acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate

Common Name

English

BUTONATE [GREEN BOOK]

Common Name

English

BUTANOIC ACID, 2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINYL)ETHYL ESTER

Common Name

English

BUTONATE [HSDB]

Common Name

English

O,O-DIMETHYL (2,2,2-TRICHLORO-1-N-BUTYRYLOXYETHYL)PHOSPHONATE

Common Name

English

BUTONATE [USAN]

Common Name

English

ENT-20852

Code

English

2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINYL)ETHYL BUTANOATE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

35701

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

NCI_THESAURUS

C250

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

Code System Code Type Description

MERCK INDEX

m11058

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

Merck Index

EVMPD

SUB06030MIG

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

ChEMBL

CHEMBL1570266

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

FDA UNII

39M9R3Q494

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

SMS_ID

100000081584

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

PUBCHEM

31343

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

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HSDB

1595

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

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NCI_THESAURUS

C75966

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

ALANWOOD

butonate

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

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DRUG BANK

DB11379

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

NSC

17872

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

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INN

3454

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

ECHA (EC/EINECS)

204-778-4

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

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CAS

126-22-7

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID5041697

Created by admin on Fri Dec 15 16:04:06 UTC 2023 , Edited by admin on Fri Dec 15 16:04:06 UTC 2023

PRIMARY

Related Record Type Details


					3V5FU46M7F

ENANTIOMER -> RACEMATE


					0327M7OHW6

ENANTIOMER -> RACEMATE

Related Record Type Details


					39M9R3Q494

BUTONATE

ACTIVE MOIETY