Decoquinate

deccox · e 756 · Decox · Decoxy · HC-1528 · Nsc339057 · Aids106129 · Ketoxifene

식별자 및 물리적 특성

CAS No.	18507-89-6
분자식	C24H35NO5
평균 분자량	417.5 g/mol
단동위원소 질량	417.25152322 g/mol
SMILES	CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)c[nH]c2cc1OCC
InChIKey	JHAYEQICABJSTP-UHFFFAOYSA-N
PubChem CID	29112
ChEMBL	CHEMBL416230
EC No.	242-389-1
DTXSID	DTXSID5046851

XLogP	6.8
극성 표면적	73.9
수소 결합 공여자 수	1
수소 결합 수용자 수	6
회전 가능 결합 수	15
무거운 원자 수	30
형식 전하	0
복잡도	562
Animal Drugs	FDA approved animal drugs -> Active ingredient
Collision Cross Section	217 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]216.2 Å² [M+H]+ [CCS Type: TW
녹는점	241.0 to 245.0 °C
끓는 점	517.9±45.0 °C(Predicted)
밀도	1.091±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Room Temperature
용해도	클로로포름(약간, 가열), 메탄올(약간, 가열, 초음파 처리)에 용해됨
pKa(산도 계수)	2.60±0.50(Predicted)
물리적 상태	Solid
색상	미색부터 페일 베이지까지
Merck	14,2854
주요 응용	법의학 및 독성학의약품(소분자)
InChI	InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
InChIKey	JHAYEQICABJSTP-UHFFFAOYSA-N
SMILES	N1C2C(=CC(OCCCCCCCCCC)=C(OCC)C=2)C(O)=C(C(OCC)=O)C=1
LogP(분배 계수)	8.740 (est)
EPA	Decoquinate (18507-89-6)

Off-White to Pale Yellow Solid

GHS 분류	H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 1 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: 3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl esterRegulation (EC) No 1831/2003 (amended)Decoquinate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Aquatic Chronic 4 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	VB1983800
관세 코드	29334900
안전 문구(S)	24/25
위험 등급	Aquatic Chronic 4
저장 분류	11 - Combustible Solids

Decoquinate is a quinolone coccidiostat used in veterinary medicine, in particular as animal feed for poultry.