AG0032AT

118-10-5 | (S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol

AG0032AT

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CAS Number	118-10-5
Catalog Number	AG0032AT(AGN-PC-0PBG8K)
Chemical Name	(S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol
EC Number	204-234-6
IUPAC Name	(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
InChI	InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
InChI Key	KMPWYEUPVWOPIM-QAMTZSDWSA-N
MDL Number	MFCD00064372
Molecular Formula	C19H22N2O
Molecular Weight	294.3908
NSC Number	6176
SMILES	[C@H]1(N2C[C@H](C=C)[C@H](C1)CC2)[C@H](C3=CC=NC4=C3C=CC=C4)O
UNII	V43X79NZCD
Synonyms	cinchonine, cinchonine, hexaiodoTl(-2) (1:1), (9S)-isomer, cinchonine, hydrochloride, (9S)-isomer, cinchonine, monohydrochloride, (9S)-isomer, cinchonine, sulfate (2:1), (9S)-isomer, LA 40221, LA-40221, cinchonine, (+)-Cinchonine, 118-10-5, D-Cinchonine, (8R,9S)-Cinchonine, (+)-Cinconine, TCMDC-123933, Cinchonan-9-ol, (9S)-, UNII-V43X79NZCD, (9S)-Cinchonan-9-ol, (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol, (+)-cinchonin, GNF-Pf-3189, MFCD00064372, V43X79NZCD, CHEBI:27509, A1-00198, NSC6176, .alpha.-Quinidine, NSC 6176, EINECS 204-234-6, (S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol, (+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol, AI3-09058, Cinchonine monohydrochloride dihydrate, 2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-, 2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-, cinchonin, NSC-6176, LA40221, AK-72975, CINCHORINE, PubChem7961, alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol, Prestwick3_000608, Cinchonine(LA40221), 2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-, (+)-Cinchonine, 85%, AC1L3K0U, AC1Q4XW4, (+)-Cinchonine; >99%, BSPBio_000516, MLS002153907, SCHEMBL158394, (S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol, AC1Q59P4, BPBio1_000568, CHEMBL588619, MEGxp0_001905, ACon0_001352, ACon1_000336, KMPWYEUPVWOPIM-QAMTZSDWSA-N, HMS2096J18, HMS2235N18, HY-Y0152, ZINC3881680, (+)-Cinchonine, analytical standard, BDBM50370411, AKOS015895982, EBD2201796, NCGC00169174-01, NCGC00169174-02, NCGC00262542-03, DS-15267, NCI60_005298, SC-00505, SMR001233256, AX8121328, Cinchonine, crystallized, >=98.0% (NT), AB00374715, CS-0008420, ST24026039, WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1, I06-1233, BRD-K90268819-001-03-4, 2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-, NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol, (S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol, (S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol, (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol, Quinoline alkaloid, C19H22N2O, Cinchonine, 95% - 25G 25g, CID90454, AR-1L5874, c0350, C19-H22-N2-O, Cinchonine, 98% - 100G 100g, ACN-048720, CB10507, (4S,5R,7R)-(+)-7-((S)-(4-Chinolinyl)(hydroxy)methyl)-5-ethenylazabicyclo[2.2.2]octan, (S)-[(4S,5R,7R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol, 119464-24-3,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	294.173g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	294.398g/mol
Monoisotopic Mass	294.173g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	36.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number