Acepromazine

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

식별자 및 물리적 특성

CAS No.	61-00-7
분자식	C19H22N2OS
평균 분자량	326.5 g/mol
단동위원소 질량	326.14528432 g/mol
SMILES	CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIKey	NOSIYYJFMPDDSA-UHFFFAOYSA-N
PubChem CID	6077
ChEMBL	CHEMBL39560
ChEBI	CHEBI:44932
EC No.	200-496-0
DTXSID	DTXSID1022552

XLogP	4.2
극성 표면적	48.9
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	23
형식 전하	0
복잡도	414
의약품	DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15
용해도	9.80e-03 g/L
Animal Drugs	Pharmaceuticals -> Animal Drugs -> Approved in TaiwanPharmaceuticals -> UK Veterinary Medicines Directorate List
녹는점	< 25 °C<25 °C
Physical Description	Solid
Collision Cross Section	176.6 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]163.89 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]160.5 Å² [M+H]+ [CCS Type: TW]176.22 Å² [M+H]+
끓는 점	bp0.5 220-240°
밀도	1.1075 (rough estimate)
굴절률	1.5950 (estimate)
pKa(산도 계수)	9.41±0.28(Predicted)
색상	오렌지 오일
용해도	16mg/L(25℃)

GHS 분류	DangerH301 (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.
규제 정보	Status: 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 Categories	Acute Tox. 3 (100%)
독성	LD50 intraperitoneal in mouse: 350mg/kg

Sedative (veterinary).