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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

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 ( + / - )

Description

Butonate is a veterinary anti-parasitic drug, which was approved by FDA, but lately voluntarily withdrawn.

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Approved
8429
VET KEM T-113

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
[Studies on the application of the low toxicity 32P- labeled phosphonic acid ester, Butonate, in cattle].
1967
Critical tests of butonate as an ascaricide and boticide in horses.
1971 Dec
Critical tests of an orally administered butonate as an anthelmintic in horses.
1973 Sep
Activity of organophosphorus insecticides in bacterial tests for mutagenicity and DNA repair--direct alkylation vs. metabolic activation and breakdown. I. Butonate, vinylbutonate, trichlorfon, dichlorvos, demethyl dichlorvos and demethyl vinylbutonate.
1982 Apr

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 16:04:06 GMT 2023
Edited
by admin
on Fri Dec 15 16:04:06 GMT 2023
Record UNII
39M9R3Q494
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTONATE
GREEN BOOK   HSDB   INN   ISO   USAN  
USAN   INN  
Official Name English
(RS)-2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINOYL)ETHYL BUTYRATE
Systematic Name English
TRICHLORFON BUTANOIC ACID ESTER
MI  
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 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
NCI_THESAURUS C250
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
Code System Code Type Description
MERCK INDEX
m11058
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY Merck Index
EVMPD
SUB06030MIG
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
ChEMBL
CHEMBL1570266
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
FDA UNII
39M9R3Q494
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
SMS_ID
100000081584
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
PUBCHEM
31343
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
HSDB
1595
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
NCI_THESAURUS
C75966
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
ALANWOOD
butonate
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
DRUG BANK
DB11379
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
NSC
17872
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
INN
3454
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-778-4
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
CAS
126-22-7
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID5041697
Created by admin on Fri Dec 15 16:04:06 GMT 2023 , Edited by admin on Fri Dec 15 16:04:06 GMT 2023
PRIMARY
Related Record Type Details
Structure of BUTONATE, (S)-
ENANTIOMER -> RACEMATE
Structure of BUTONATE, (R)-
ENANTIOMER -> RACEMATE
Related Record Type Details
Structure of BUTONATE
ACTIVE MOIETY
NIH
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