SK&F 81297

sk&f81297 · (±)-6-Chloro-PB · SKF 81297 hydrobromi · SKF 81297 HYDROBROMIDE · (+/-)-SKF-81297 HYDROBROMIDE · (±)-6-Chloro-PB hydrobromide · (+/-)-6-CHLORO-PB HYDROBROMIDE · (+-)-6-CHLORO-PB HYDROBROMIDE (+-)-SKF-8 1297, HCL

https://huagongshe.com/ko/chemical/1218

식별자 및 물리적 특성

CAS No.	71636-61-8
분자식	C16H16ClNO2
평균 분자량	289.75 g/mol
단동위원소 질량	289.08695643 g/mol
SMILES	Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1
InChIKey	GHWJEDJMOVUXEC-UHFFFAOYSA-N
PubChem CID	1218
ChEMBL	CHEMBL353335
ChEBI	CHEBI:91517
EC No.	635-324-7
DTXSID	DTXSID3043815

화학 및 물리적 성질

XLogP	2.7
극성 표면적	52.5
수소 결합 공여자 수	3
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	20
형식 전하	0
복잡도	322
저장 조건	Desiccate at +4°C
용해도	H2O: 1.7 mg/mL
물리적 상태	고체
색상	회색
용해도	H2O: 1.7mg/mLDMSO: >10mg/mLethanol: 6.3mg/mL
InChI	1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H21H
InChIKey	RMIJGBMRNYUZRG-UHFFFAOYSA-N
SMILES	Br[H].Oc1cc2C(CNCCc2c(Cl)c1O)c3ccccc3

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	22-26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

(±)-6-Chloro-PB hydrobromide has been used as a dopamine D1 receptor (Drd1a) agonist to study the role of the drd1a-dopamine receptor inactivation of extracellular signalregulated protein kinase 1/2 (ERK1/2) in the wild-type and striatum of dopamine-depleted mice. It has also been used as a Drd1a agonist to identify the contribution of D1 (D1R)-like dopamine receptor signaling on learning and memory in Barnes maze in rats.