AM6545

HCID 46912919CAS 1245626-05-4

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Grundinformationen

Standard-SMILES: Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCC#N)cc1
InChIKey: XBHQLFVDGLPBCK-UHFFFAOYSA-N
Summenformel: C26H23Cl2N5O3S
Durchschnittliche Molmasse: 556,5 g/mol
Monoisotopische Masse: 555,0898662

Namen und Bezeichner

Bevorzugter Name: AM6545
IUPAC: 5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide
Englischer Name: 5-(4-[4-cyanobut-1-ynyl]phenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1,1-dioxo-thiomorpholino)-1H-pyrazole-3-carboxamide
Summenformel: C26H23Cl2N5O3S
Molmasse: 556.46

Namen und Synonyme

AM6545AM-6545DTXSID706773295-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide5-(4-(4-cyanobut-1-ynyl)phenyl)-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamideRefChem:915629DTXCID706280781245626-05-4AM 65455-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamideCHEMBL33418985-(4-[4-cyanobut-1-ynyl]phenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1,1-dioxo-thiomorpholino)-1H-pyrazole-3-carboxamide

Weitere Namen anzeigen

AM-6545,AM65455-[4-(4-Cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, 5-[4-(4-cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-

XBHQLFVDGLPBCK-UHFFFAOYSA-NC26H23Cl2N5O3SSCHEMBL662200orb1704695SCHEMBL29387066GTPL10029CHEBI:231613EX-A9386

Datenbank-Bezeichner

CAS: 1245626-05-4
PubChem CID: 46912919
DTXSID: DTXSID70677329
ChEMBL: CHEMBL3341898
ChEBI: CHEBI:231613
EC Number: 689-655-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 116 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 6
Schwere Atome: 37
Formalladung: 0
Komplexität: 1.020

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C
Löslichkeit: 25 mg/mL · DMSO: >25mg/mL
Aggregatzustand: powder
Farbe: white to off-white
InChIKey: XBHQLFVDGLPBCK-UHFFFAOYSA-N
SMILES: Cc1c(nn(-c2ccc(Cl)cc2Cl)c1-c3ccc(cc3)C#CCCC#N)C(=O)NN4CCS(=O)(=O)CC4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.