Isoprocarb-d3

CAT: 0804-HY-B0830S-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0830S-01Size:5 mg

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Description

Isoprocarb-d3 is deuterium labeled Isoprocarb. Isoprocarb is carbamate insecticide that widely used to control rice paddy lice and leafhopper. Isoprocarb is also an AChE inhibitor[1].

CAS Number

2662756-69-4

UNSPSC

12352005

Target

Cholinesterase (ChE) ; Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Neuronal Signaling; Others

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Solubility

10 mM in DMSO

Smiles

O=C(NC([2H])([2H])[2H])OC1=C(C(C)C)C=CC=C1

Molecular Formula

C11H12D3NO2

Molecular Weight

196.26

References & Citations

[1]Chao Wang, et al. Responses of AChE and GST activities to insecticide coexposure in Carassius auratus. Environ Toxicol. 2012 Jan;27 (1) :50-7.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Isoform

AChE

Chemical Information

Isoprocarb-d3

CAS Number	2662756-69-4
PubChem CID	163322554
IUPAC Name	(2-propan-2-ylphenyl) N-(trideuteriomethyl)carbamate
Molecular Formula	C11H15NO2
Molecular Weight	196.26
XLogP	2.3
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	192

SMILES

[2H]C([2H])([2H])NC(=O)OC1=CC=CC=C1C(C)C

InChI

InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)/i3D3

InChIKey

QBSJMKIUCUGGNG-HPRDVNIFSA-N

Chemical Structure

2D Structure

CAS: 2662756-69-4

CID: 163322554

Formula: C11H15NO2

MW: 196.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.26
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	196.129108959
Monoisotopic Mass	196.129108959
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	192
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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