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Pyributicarb

Pyributicarb structure

CAS No:
88678-67-5
Formula:
C18H22N2O2S
Chemical Name:
Pyributicarb
Synonyms:
Carbamothioic acid,N-(6-methoxy-2-pyridinyl)-N-methyl-,O-[3-(1,1-dimethylethyl)phenyl] ester;Carbamothioic acid,(6-methoxy-2-pyridinyl)methyl-,O-[3-(1,1-dimethylethyl)phenyl] ester;Pyributicarb;TSH 888;O-3-tert-Butylphenyl N-(6-methoxy-2-pyridyl)-N-methylthiocarbamate;Isshintasuke flowable;Isshintasuke;140908-77-6
Categories:
Analytical Chemistry > Standard

Description

Pyributicarb, a carbamate-type herbicide, is a potent activator of both CYP3A4 gene and human pregnane X receptor (hPXR).

Pyributicarb is a monothiocarbamic ester that is carbamic acid in which the oxygen of the oxo group is replaced by sulfur, the hydrogens attached to the nitrogen are replaced by methyl and 6-methoxypyridin-2-yl groups, and the hydrogen of the hydroxy group is replaced by a p-tert-butylphenyl group. It has fungicidal and herbicidal activity and is used in paddy rice and turf production. It has a role as a sterol biosynthesis inhibitor, a herbicide and an antifungal agrochemical. It is a member of pyridines, an aromatic ether and a monothiocarbamic ester.

Pyributicarb Basic Attributes

Molecular Weight：

330.44

Exact Mass：

330.44

EC Number：

618-200-7

UNII：

EZI481Y8N1

DSSTox ID：

DTXSID2058209

HScode：

2933399029

Characteristics

PSA：

66.7

XLogP3：

5.21

Density：

1.2±0.1 g/cm3

Melting Point：

86 °C

Boiling Point：

427.8±55.0 °C at 760 mmHg

Flash Point：

212.5±31.5 °C

Refractive Index：

1.599

Water Solubility：

9.68e-07 M

Storage Conditions：

0-6°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

RTECS Number：

XK4962000

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 194 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Drug Information

Metabolism/Metabolites：

Pyributicarb has known human metabolites that include Pyributicarb metabolite 1.

Computed Properties

Molecular Weight:330.4
XLogP3:5.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:330.14019912
Monoisotopic Mass:330.14019912
Topological Polar Surface Area:66.7
Heavy Atom Count:23
Complexity:397
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes