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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23NO4
Molecular Weight 365.4223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEQUINATE

SMILES

CCCCC1=CC2=C(NC=C(C(=O)OC)C2=O)C=C1OCC3=CC=CC=C3

InChI

InChIKey=NNOPDLNHPOLRRE-UHFFFAOYSA-N
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)

HIDE SMILES / InChI
Molecular Formula C22H23NO4
Molecular Weight 365.4223
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Nequinate is an aid in the prevention of coccidiosis caused by E. tenella, E. necatrix, E. acervulina, E. maxima, E. brunetti, and E. mivati.

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Approved
8583
Statyl

Approved Use

An aid in the prevention of coccidiosis caused by E. tenella, E. necatrix, E. acervulina, E. maxima, E. brunetti, and E. mivati. in poultry.
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer
CYP19A1
429
P-gp
2052
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP19A1
430
 no
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
P-gp
2052
 no
PubMed

PubMed

TitleDatePubMed
Determination of methylbenzoquate in premixes and animal feeds using liquid chromatography with fluorescence detection.
2005-07-09
In vitro cultivation of Cryptosporidium parvum and screening for anticryptosporidial drugs.
1990-08
Patents

Patents

US3696141
1
WO2011158084A1
1

Sample Use Guides

In Vivo Use Guide
Chickens: Amount per ton. Nequinate, 18.16 grams (0.002 percent). Feed continuously as the sole ration; do not feed to chickens over 16 weeks of age.
Route of Administration: Oral
In Vitro Use Guide
Curator's Comment: Chick kidney cell cultures and sporozoites of a Japanese (Azabu) strain of Eimeria tenella were used. Samples of methyl benzoquate, which did not dissolve in this mixture, were mechanically shaken in it with glass beads to effect dispersion. These stock formulations were further diluted with culture medium to x 10 required final concentration. Semi-confluent monolayers were inoculated with 150000 sporozoites in 1-8 ml medium containing 2-5 % foetal calf serum. The drug was added as 0-2 ml per well of the x 10 concentrated suspension.
M.E.D. (minimum effective dose) = 0.001 ppm
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:53:25 GMT 2025
Edited
by admin
on Mon Mar 31 17:53:25 GMT 2025
Record UNII
91ZE013933
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEQUINATE
GREEN BOOK   INN   MI   USAN  
USAN   INN  
Official Name English
AY-20,385
Preferred Name English
3-QUINOLINECARBOXYLIC ACID, 6-BUTYL-1,4-DIHYDRO-4-OXO-7-(PHENYLMETHOXY)-, METHYL ESTER
Systematic Name English
nequinate [INN]
Common Name English
ICI 55,052
Code English
AY-20385
Code English
NEQUINATE [MI]
Common Name English
Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate
Systematic Name English
NEQUINATE [USAN]
Common Name English
NEQUINATE [GREEN BOOK]
Common Name English
ICI-55052
Code English
METHYL BENZOQUATE [MART.]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 558.365
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
CFR 21 CFR 556.440
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
Code System Code Type Description
EVMPD
SUB09202MIG
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
SMS_ID
100000084156
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
PUBCHEM
26383
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
MERCK INDEX
m7826
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY Merck Index
CAS
13997-19-8
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
DRUG BANK
DB11433
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
INN
2591
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID2048610
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
NCI_THESAURUS
C76424
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
MESH
C057040
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
FDA UNII
91ZE013933
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-796-6
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
ChEMBL
CHEMBL2104807
Created by admin on Mon Mar 31 17:53:25 GMT 2025 , Edited by admin on Mon Mar 31 17:53:25 GMT 2025
PRIMARY
Related Record Type Details
Structure of NEQUINATE
ACTIVE MOIETY
NIH
NCATS
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