U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17NO6
Molecular Weight 295.2879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROTHAL-ISOPROPYL

SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)C(=O)OC(C)C)[N+]([O-])=O

InChI

InChIKey=VJAWBEFMCIINFU-UHFFFAOYSA-N
InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H17NO6
Molecular Weight 295.2879
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Nitrothal-isopropyl is a fungicide, used, usually in combination with other fungicides, to control fungal pathogens on a variety of crops including fruit and vegetables. Nitrothal-isopropyl is registered for use in South Africa, Australia and New Zealand but it is not registered by the USA. Nitrothal-isopropyl is protectively active against powdery mildews and used in combination with sulphur or metiram in apples. Combinations of nitrothal-isopropyl with tridemorph greatly increased the effectiveness against Erysiphe cichoracearum on melons. Nitrothal-isopropyl is a selective fungicide applied towards control of the development of many side effects of diseases caused by microorganisms in plant breeding of agricultural crops. It has been applied for the control of Podosphaera leucotricha in apple trees, Phytophthora infestans in tomato and potato, and Septoria apii in celery as well as Bremia lactucae in lettuce cultivation. Nitrothal-isopropyl is also applied as a seed treatment, in order to combat diseases of vegetable and ornamental plants. It is used in forestry for diseases causing needles drooping as well. In humans NT can cause eyes, skin, and respiration system irritation. Nitrothal-isopropyl is classified as a third-class toxicity pesticide for mammals.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
The acute oral dose of nitrothal-isopropyl in rats is >6400 mg/kg
Route of Administration: Oral
In Vitro Use Guide
SWAdS voltammograms recorded in BR buffer pH 2.5 with increasing nitrothal-isopropyl concentration 2.0 × 10−7, 4.0 × 10−7, 6.0 × 10−7, 8.0 × 10−7, 1.0 × 10−6, and 2.0 × 10−6 mol/L. Water samples were spiked with nitrothal-isopropyl at the  mol/L concentration.
Substance Class Chemical
Record UNII
U6ZG3TTM2S
Record Status Validated (UNII)
Record Version