Benalaxyl-M

HCID 176648CAS 98243-83-5
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Grundinformationen

Standard-SMILES
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
InChIKey
CJPQIRJHIZUAQP-MRXNPFEDSA-N
Summenformel
C20H23NO3
Durchschnittliche Molmasse
325,4 g/mol
Monoisotopische Masse
325,1677936

Überblick

Benalaxyl-M is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl. It is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate, a D-alanine derivative, an acylamino acid fungicide and an anilide fungicide. It is an enantiomer of a (S)-benalaxyl.

Namen und Bezeichner

Bevorzugter Name
Benalaxyl-M
IUPAC
methyl (2R)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
Englischer Name
Benalaxyl-M
Summenformel
C20H23NO3
Molmasse
325.4

Namen und Synonyme

Benalaxyl-M98243-83-5KiralaxylD-Benalaxyl(-)-R-BenalaxylBenalaxyl-M [ISO]UNII-K2I4VH4B65IR 6141K2I4VH4B65(-)-BENALAXYLBENALAXYL, (-)-DTXSID0058229
Weitere Namen anzeigen
(R)-BenalaxylJingbenshuanglingC10442000 Benalaxyl-MBenalaxyl-M 100 μg/ml Acetonitrile(S)-methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)proN-(2,6-Dimethylphenyl)-N-(phenylacetyl)-D-alanine methyl ester(R)-Methyl 2-(N-(2,6-diMethylphenyl)-2-phenylacetaMido)propanoate
CHEBI:82779N-(2,6-DIMETHYLPHENYL)-N-(2-PHENYLACETYL)-D-ALANINE METHYL ESTERIR-6141methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninateD-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl esterRefChem:116942DTXCID3031997619-330-7

Datenbank-Bezeichner

CAS
98243-83-5
PubChem CID
176648
DTXSID
DTXSID0058229
ChEBI
CHEBI:82779
UNII
K2I4VH4B65
EC Number
619-330-7
Nikkaji
J259.943K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
46,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
24

Experimentelle und physikochemische Eigenschaften

Pesticides · 4 Einträge

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide (Benalaxyl-M) -> USDA PDB

Physikochemische Eigenschaften

storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Henry's Law Constant
4.3 · 4.3×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Major Application
agricultureenvironmental
InChI
InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKey
CJPQIRJHIZUAQP-MRXNPFEDSA-N
SMILES
C(OC)(=O)[C@@H](C)N(C1=C(C)C=CC=C1C)C(CC1=CC=CC=C1)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Commission Regulation (EU) No 188/2011

Benalaxyl-M is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Dossier complete 03/35/EC, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2025/99, Reg. (EU) No 1175/2013

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Toxikologische Informationen

RAIS Toxicity Values · 4 Einträge

0.02

OPP

0.0059

OPP

EPA Human Health Benchmarks for Pesticides · 6 Einträge

Benalaxyl-M

0.02

100

General Population

0.0059

5.01-501

Sicherheitsdaten

wgk
2
ridadr
UN3077 9/PG 3
risk_code
51/53
hazard_code
N
safety_code
61
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)

Anwendungen

Verwenden(R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter34 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.

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