CAS 130-89-2 MFCD00078498-(R)-(6-Methoxyquinolin-4-Yl)((1S,2S,4S,5R)-5-Vinylquinuclidin-2-Yl)Methanol Hydrochloride (R)-(6-甲氧基-4-喹啉基)((1S,2S,4S,5R)-5-乙烯基-1-氮杂双环[2.2.2]辛烷-2-基)甲醇盐酸盐 TAO{mole}

(R)-(6-Methoxyquinolin-4-Yl)((1S,2S,4S,5R)-5-Vinylquinuclidin-2-Yl)Methanol Hydrochloride (R)-(6-甲氧基-4-喹啉基)((1S,2S,4S,5R)-5-乙烯基-1-氮杂双环[2.2.2]辛烷-2-基)甲醇盐酸盐

CAS 130-89-2 MFCD00078498

化学结构图

SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl

化学属性

Mol. Formula	C20H25ClN2O2
Mol. Weight	360.88
Density	1.422
Melting Point	158-160 °C

别名和识别编码

Chemical Name	(R)-(6-Methoxyquinolin-4-Yl)((1S,2S,4S,5R)-5-Vinylquinuclidin-2-Yl)Methanol Hydrochloride
MDL Number	MFCD00078498
CAS Number	130-89-2
EC Number	205-001-1
Beilstein Registry Number	23(2)420
PubChem Substance ID	91558
Synonym	Quinine (hydrochloride) {LY} Quinine (hydrochloride) {} {LY} Quinine (hydrochloride) {} {} {LY} Quinine (hydrochloride) {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Quinine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation	(R)-(6-甲氧基-4-喹啉基)((1S,2S,4S,5R)-5-乙烯基-1-氮杂双环[2.2.2]辛烷-2-基)甲醇盐酸盐
Reaxys-RN	8370495
Merck Number	8061
InChIKey	MPQKYZPYCSTMEI-FLZPLBAKSA-N
Wiswesser Line Notation	T66 BNJ HO1 EYQ- DT66 A B CNTJ A1U1 &GH
LabNetwork Molecule ID	LN01377917
InChI	InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1
Canonical SMILES	O[C@H](C1=CC=NC2=C1C=C(OC)C=C2)[C@@]3([H])[N@](C[C@@H]4C=C)CC[C@H]4C3.Cl

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分类

{SNA} Alkaloid, Antibiotics, Antibiotics A to Z, Antibiotics N-S, Antiparasitic / Antiprotozoal / Anthelminthic, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, Ion Channels, Monovalent Ion Channels, Nutrition Research, Phytochemicals by Chemical Classification, Potassium Channel Modulators, Q, Spectrum of Activity, Voltage-gated Ion Channels
{SNA} Alkaloid, Antibiotics, Antibiotics A to Z, Antibiotics N-S, Antiparasitic / Antiprotozoal / Anthelminthic, Biochemicals and Reagents, Ion Channels,
{SNA} Alkaloid,

安全信息

Signal word Danger Warning

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R42/43
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
P302+P352+P333+P313+P362+P364
P305+P351+P338+P337+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H317 May cause an allergic skin reaction 可能导致皮肤过敏
H302 Harmful if swallowed 吞食有害
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Hazard Codes Xn

RTECSVA7700000

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human
DOSE/DURATION           : 230 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle contraction or spasticity
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 17,363,1883

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 63,122,1938

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - chicken
DOSE/DURATION           : 857 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 201,402,1943

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkin

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 110 mg/kg
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 26,173,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 25 mg/L
REFERENCE :
   BECTA6 Bulletin of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   07094)  V.1-    1966-  Volume(issue)/page/year: 38,422,1987

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 26,173,1983

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}