Toltrazuril (Standard)

CAT: 0804-HY-B0175R-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0175R-01Size:25 mg

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Description

Toltrazuril (Standard) is the analytical standard of Toltrazuril. This product is intended for research and analytical applications. Toltrazuril (BAY-i 9142) is an antiprotozoal agent that acts upon Coccidia parasites.

CAS Number

69004-03-1

Product Name Alternative

BAY-i 9142 (Standard)

UNSPSC

12352005

Target

Antibiotic; Parasite; Reference Standards

Type

Reference Standards

Related Pathways

Anti-infection; Others

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/toltrazuril-standard.html

Smiles

O=C(N(C1=CC=C(OC2=CC=C(SC(F)(F)F)C=C2)C(C)=C1)C(N3)=O)N(C)C3=O

Molecular Formula

C18H14F3N3O4S

Molecular Weight

425.38

References & Citations

[1]Mehlhorn H, et al. Toltrazuril effective against a broad spectrum of protozoan parasites. Parasitol Res. 1988;75 (1) :64-6.|[2]Diaferia M, et al. Efficacy of toltrazuril 5 % suspension (Baycox?, Bayer) and diclazuril (Vecoxan, Janssen-Cilag) in the control of Eimeria spp. in lambs. Parasitol Res. 2013 Aug;112 Suppl 1:163-8.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Toltrazuril

1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione is an aromatic ether.

CAS Number	69004-03-1
PubChem CID	68591
IUPAC Name	1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
Molecular Formula	C18H14F3N3O4S
Molecular Weight	425.4
XLogP	4.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	655

SMILES

CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

InChIKey

OCINXEZVIIVXFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69004-03-1

CID: 68591

Formula: C18H14F3N3O4S

MW: 425.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	425.4
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	425.06571160
Monoisotopic Mass	425.06571160
Topological Polar Surface Area	104 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	655
Isotope Atom Count	0
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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B2054-5000	Toltrazuril

Toltrazuril (Standard)

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