AG0035K6

56-54-2 | (9S)-6'-Methoxycinchonan-9-ol

AG0035K6

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CAS Number	56-54-2
Catalog Number	AG0035K6(AGN-PC-0SLXJ7)
Chemical Name	(9S)-6'-Methoxycinchonan-9-ol
EC Number	200-279-0
IUPAC Name	(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
InChI	InChI=1S/C20H24N2O2/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/t13-,14-,19+,20-/m0/s1
InChI Key	LOUPRKONTZGTKE-LHHVKLHASA-N
MDL Number	MFCD00135581
Molecular Formula	C20H24N2O2
Molecular Weight	324.4168
SMILES	[C@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H]
UN Number	2811
UNII	ITX08688JL
Synonyms	Adaquin, Apo Quinidine, Apo-Quinidine, Chinidin, Quincardine, Quinidex, Quinidine, Quinidine Sulfate, Quinora, Sulfate, Quinidine, quinidine, (+)-Quinidine, 56-54-2, Chinidin, Pitayine, Quinidex, (8R,9S)-Quinidine, Cin-Quin, Conquinine, Conchinin, Conchinine, (9S)-6'-Methoxycinchonan-9-ol, beta-Quinine, chinidinum, quinidina, Kinidin, Quiniduran, Chinidine, UNII-ITX08688JL, Quinaglute, Quinora, Quinidine sulfate, CHEBI:28593, (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol, MFCD00135581, Quinicardine, CHEMBL1294, Cardioquin, Duraquin, Quinact, Quinalan, Quinatime, Quindine, (1S)-(6-Methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol, ITX08688JL, Cinchonan-9-ol, 6'-methoxy-, (9S)-, 6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol, Chinidin [German], QUINIDINE HYDROCHLORIDE, Biquin durules, Auriquin, beta-Quinidine, alpha-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol, (3'.alpha., 9S)-6'-Methoxycinchonan-9-ol, Quinidine, 98%, anhydrous, Pitayin, CCRIS 672, HSDB 225, TCMDC-131239, C20H24N2O2, NCI-C56246, Apo-Quinidine, EINECS 200-279-0, (R)-(6-methoxyquinolin-4-yl)((3S,4R,7S)-3-vinylquinuclidin-7-yl)methanol, (S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol, (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol, (S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol, SMR000857275, Quinidine [BAN:NF], Novoquinidin, Quin-Release, (9S)-6-Methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol, alpha-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol (9S)-, (8R,9S)-6'-Methoxycinchonan-9-ol, (S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol, Quinidex Extentabs, (S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol, AK-57138, Quinidine, anhydrous, Quinaglute Dura-Tabs, PubChem7994, AC1L9AHW, Prestwick3_000280, bmse000511, Epitope ID:141803, AC1Q4EZ6, SCHEMBL15943, BSPBio_000160, MLS001335913, MLS001335914, MLS002548869, BPBio1_000176, GTPL2342, DTXSID4023549, SCHEMBL17537608, BIB1110, ZX-AFC000840, HMS2234L10, HMS3259O09, ACT09863, HY-B1751, ZINC3831405, BDBM50121975, RW2069, AKOS015920101, CCG-256507, CS-7812, DB00908, MCULE-7178915526, NC00478, SDCCGMLS-0066600.P001, NCGC00091231-01, NCGC00091231-02, NCGC00091231-03, AJ-45786, AS-30538, BR-57138, CPD000857275, SAM002264644, SC-05389, SC-88763, AX8150056, ST2413763, AB00514657, FT-0082277, 6470-EP1441224A2, 6470-EP2272835A1, 6470-EP2272844A1, 6470-EP2272972A1, 6470-EP2272973A1, 6470-EP2275411A2, 6470-EP2277872A1, 6470-EP2305655A2, 6470-EP2314576A1, 6470-EP2314585A1, M-7594, AB01562940_01, W-109256, BRD-K59632282-052-01-5, BRD-K59632282-052-02-3, BRD-K70799801-311-02-7, (9S)-6 inverted exclamation mark -Methoxycinchonan-9-ol, Quinidine, crystallized, >=98.0% (dried material, NT), (2-ethenyl- 4-azabicyclo [2.2.2] oct- 5-yl)- (6-methoxyquinolin- 4-yl)- methanol,, QDN, Coccinine, Quincardine, Quinidine gluconate, quinate, Quinicine, Adaquin, quinidin-, Apo Quinidine, Quinidine HCl, |A-Quinidine, Quinidine sulphate, |A-Quinine, Quinidine [BAN], Sulfate, Quinidine, (+)-Quinidine 1g, Quinidine polygalacturonate, Quinidine sulfate dihydrate, Quinidine hydrochloride monohydrate, Quinidine, 98% - 25G 25g, Quinidine, 99% - 25G 25g, NSC10004, CID441074, C20-H24-N2-O2, ACN-052225, D011802, (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol, 84-55-9,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	324.184g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.424g/mol
Monoisotopic Mass	324.184g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	45.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number