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HCID 54589430Erstellt: 1. November 2026

Afidopyropen

[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-(cyclopropanecarbonyloxy)-6,12-dihydroxy-4,6a,12btrimethyl-11-oxo-9-(pyridin-3-yl)-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-11H,12Hbenzo[f]pyrano[4,3-b]chromen-4-yl]methylcyclopropanecarboxylate · Inscalis · afidopyropen · Afidopyropen (Standard) · Afidopyropen 100 μg/ml Acetonitrile · Afidopyropen 100 μg/mL in Acetonitrile · Cyclopropanecarboxylic acid, [(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropylcarbonyl)oxy]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-4-yl]methyl ester

https://huagongshe.com/de/chemical/54589430

Identifikatoren & physikalische Daten

CAS No.	915972-17-7
Summenformel	C33H39NO9
Durchschnittliche Molmasse	593,7 g/mol
Monoisotopische Masse	593,26248183 g/mol
SMILES	C[C@]1(COC(=O)C2CC2)[C@@H]2C[C@H](O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C1CC1
InChIKey	LRZWFURXIMFONG-HRSIRGMGSA-N
PubChem CID	54589430
ChEBI	CHEBI:133859
EC No.	815-966-6
DTXSID	DTXSID00896889

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	141
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	8
Schwere Atome	43
Formalladung	0
Komplexität	1.270
Pestizide	Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticide (Afidopyropen ) -> USDA PDB
Siedepunkt	742.1±60.0 °C(Predicted)
Dichte	1.39±0.1 g/cm3(Predicted)
Dampfdruck	0Pa at 25℃
Aggregatzustand	Solid:particulate/powder
pKa (Säurekonstante)	11.78±0.70(Predicted)
LogP (Verteilungskoeffizient)	3.45 at 25.2℃ and pH7.34-7.74
Oberflächenspannung	49.7mN/m at 100.1mg/L and 20℃
EPA chemische Informationen	Afidopyropen (915972-17-7)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH410 (100%): Very toxic to aquatic life with long lasting effects [Warning 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 150 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Afidopyropen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21194
Hazard Classes and Categories	Aquatic Chronic 1 (100%)
RAIS Toxicity Values	0.16OPP0.08
EPA Human Health Benchmarks for Pesticides	Afidopyropen0.164500Females 13-49 yrs0.08
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H410

Afidopyropen

Identifikatoren & physikalische Daten

CAS No.

915972-17-7

Summenformel

C33H39NO9

Durchschnittliche Molmasse

593,7 g/mol

Monoisotopische Masse

593,26248183 g/mol

SMILES

C[C@]1(COC(=O)C2CC2)[C@@H]2C[C@H](O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C1CC1

InChIKey

LRZWFURXIMFONG-HRSIRGMGSA-N

PubChem CID

54589430

ChEBI

CHEBI:133859

EC No.

815-966-6

DTXSID

DTXSID00896889

Chemische & physikalische Eigenschaften

XLogP

2,8

Polarare Oberfläche (TPSA)

141

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

1.270

Pestizide

Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticide (Afidopyropen ) -> USDA PDB

Siedepunkt

742.1±60.0 °C(Predicted)

Dichte

1.39±0.1 g/cm3(Predicted)

Dampfdruck

0Pa at 25℃

Aggregatzustand

Solid:particulate/powder

pKa (Säurekonstante)

11.78±0.70(Predicted)

LogP (Verteilungskoeffizient)

3.45 at 25.2℃ and pH7.34-7.74

Oberflächenspannung

49.7mN/m at 100.1mg/L and 20℃

EPA chemische Informationen

Afidopyropen (915972-17-7)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH410 (100%): Very toxic to aquatic life with long lasting effects [Warning 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 150 reports by companies from 2 notifications to the ECHA C&L Inventory.

Regulatorische Informationen

Afidopyropen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 15-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21194

Hazard Classes and Categories

Aquatic Chronic 1 (100%)

RAIS Toxicity Values

0.16OPP0.08

EPA Human Health Benchmarks for Pesticides

Afidopyropen0.164500Females 13-49 yrs0.08

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H410