Name: Tebufenozide - analytical standard, ≥99% , CAS No.112410-23-8
Brand: Aladdin Scientific
SKU: T109923
Availability: InStock

Tebufenozide - analytical standard, ≥99% , CAS No.112410-23-8

CAS: 112410-23-8 Cat. No.: T109923 Formula: C₂₂H₂₈N₂O₂ Molecular Weight: 352.47 Beilstein Registry Number: 7822297 EC Number: 601-185-6 PubChem CID: 91773

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Tebufenozide - analytical standard, ≥99% CAS No(112410-23-8) by Aladdin Scientific

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GRADE & PURITY Analytical standard ? ≥99%

Synonyms

Mimic|N-(tert-butyl)-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide|5-Amino-3-t-butyl-1-p-tolyl-pyrazole|N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl-benzohydrazide;Tebufenozide|Tebufenozide [ISO]|Confirm|RH-5992|3-Carbethoxy-4-hydroxyquinaldine|N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide|Tebufenozide|N-(4-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methylcarbamoyl)phenyl)furan-2-carboxamide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|3,5-DIMETHYLBENZOIC ACID 1-(1,1-DIMETHYLETHYL)-2-(4-ETHYLBENZOYL)HYDRAZINE|TEBUFENOZIDE [MI]|N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide|TEBUFENOZIDE [HSDB]|3,5-Dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product Solution Calculators Reviews

Specifications

Synonyms

Specifications & Purity

analytical standard, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥99%

Names and Identifiers

Pubchem Sid

508816542

Canonical Smiles

CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C

IUPAC Name

N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide

InChIKey

QYPNKSZPJQQLRK-UHFFFAOYSA-N

INCHI

1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C

WGK Germany

PubChem CID

91773

UN Number

3077

Molecular Weight

352.47

Beilstein

7822297

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids and derivatives
Alternative Parents	m-Xylenes Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - M-xylene - Xylene - Benzoyl - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors	Pesticides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caco-2 (12174 Activities)

x_melt_point_char	191°C
Molecular Weight	352.500 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	352.215 Da
Monoisotopic Mass	352.215 Da
Topological Polar Surface Area	49.400 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	479.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Tebufenozide - analytical standard, ≥99% , CAS No.112410-23-8

Specifications

Advanced Data

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