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HCID 6077Erstellt: 26. Oktober 2026

1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)ethanon

1522CB · A 23051 · Notensil · Vetranquil · Aids013600 · Aids-013600 · acepromazine · Acetylperazine

https://huagongshe.com/de/chemical/6077

Molekülstruktur von 1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)ethanon

Identifikatoren & physikalische Daten

CAS No.61-00-7
SummenformelC19H22N2OS
Durchschnittliche Molmasse326,5 g/mol
Monoisotopische Masse326,14528432 g/mol
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
PubChem CID6077
ChEMBLCHEMBL39560
ChEBICHEBI:44932
EC No.200-496-0
DTXSIDDTXSID1022552
Lokaler Name1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)ethanon

Chemische & physikalische Eigenschaften

XLogP4,2
Polarare Oberfläche (TPSA)48,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen5
Schwere Atome23
Formalladung0
Komplexität414
ArzneimittelDEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15
Löslichkeit9.80e-03 g/L16mg/L(25 ºC)
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in TaiwanPharmaceuticals -> UK Veterinary Medicines Directorate List
Schmelzpunkt< 25 °C<25 °C
Physical DescriptionSolid
Collision Cross Section176.6 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]163.89 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]160.5 Ų [M+H]+ [CCS Type: TW]176.22 Ų [M+H]+
Siedepunktbp0.5 220-240°
Dichte1.1075 (rough estimate)
Brechungsindex1.5950 (estimate)
pKa (Säurekonstante)9.41±0.28(Predicted)
FarbeOrange oil

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenStatus: Active Update: 27-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6774Ethanone, 1-10-3-(dimethylamino)propyl-10H-phenothiazin-2-yl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
ToxizitätLD50 intraperitoneal in mouse: 350mg/kg

Anwendungen & Verwendung

Verwenden

Sedative (veterinary).