AG00395R

6119-70-6 | Quinine sulfate dihydrate

AG00395R

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CAS Number	6119-70-6
Catalog Number	AG00395R(AGN-PC-0SZ8V2)
Chemical Name	Quinine sulfate dihydrate
FEMA Number	2977
IUPAC Name	(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
InChI	InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
InChI Key	ZHNFLHYOFXQIOW-LPYZJUEESA-N
MDL Number	MFCD00078499
Molecular Formula	C20H34N2O10S
Molecular Weight	494.5564
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.O=S(O)(O)=O.O.O.O.O
UNII	KF7Z0E0Q2B
Synonyms	Biquinate, Bisulfate, Quinine, Hydrochloride, Quinine, Legatrim, Myoquin, Quinamm, Quinbisan, Quinbisul, Quindan, Quinimax, Quinine, Quinine Bisulfate, Quinine Hydrochloride, Quinine Lafran, Quinine Sulfate, Quinine Sulphate, Quinine-Odan, Quinoctal, Quinson, Quinsul, Strema, Sulfate, Quinine, Sulphate, Quinine, Surquina, QUININE SULFATE DIHYDRATE, Chinini sulfas, UNII-KF7Z0E0Q2B, Quinine hemisulfate salt monohydrate, quinine sulfate, KF7Z0E0Q2B, 207671-44-1, 6119-70-6, Quinine sulfate (2:1) (salt) dihydrate, NCGC00181052-01, Quinine monohydrochloride dihydrate, Quinine Sulfate [USAN:JAN], FEMA No. 2977, Quinine, sulfate (2:1), dihydrate, Quinamm, CHEBI:52251, Chininum sulphuricum, MFCD00150792, 6'-Methoxycinchonan-9-ol sulfate dihydrate, (8alpha,9R)-, (2:1) (salt), PubChem8016, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol; sulfuric acid, DSSTox_CID_28905, DSSTox_RID_83173, DSSTox_GSID_48979, CHEMBL2359966, DTXSID0048979, Tox21_113438, AKOS025311070, AS-14853, M874, Quinine hemisulfate salt monohydrate, 90%, (C20H24N2O2)2.H2SO4.2H2O, CAS-207671-44-1, Quinine hemisulfate salt monohydrate, p.a., 99.0-101.0%, Quinine hemisulfate salt monohydrate, synthetic, >=90% (HPLC), Quinine hemisulfate salt monohydrate, tested according to Ph.Eur., Quinine sulfate, United States Pharmacopeia (USP) Reference Standard, Quinine hemisulfate salt monohydrate, BioReagent, suitable for fluorescence, >=98.0% (T), Quinine sulfate, meets USP testing specifications, monograph mol wt. 782.94 ((C20H24N2O2)2 . H2SO4 . 2H2O), Qualaquin, Tinnitus, Quinine HCl, Quinine hydrochloride, Quininesulfatedihydrate, Quinine sulfate hydrate, Quinine sulfate [JAN], Quinine sulfate [USP:JAN], Quinine hydrochloride dihydrate, UNII-711S8Y0T33, Quinine, sulfate(2:1), dihydrate, DRG-0052, Quinine hydrochloride [NF XI:JAN], Quinine, monohydrochloride, dihydrate, CB11455, Quinine sulfate dihydrate [USAN:JAN], C20H24N2O2.1/2H2O4S.2H2O, Quinine Sulphate Dihydrate 99% extra pure 25gm, C20-H24-N2-O2.1/2H2-O4-S.2H2-O, 6119-47-7, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (2:1) (salt), dihydrate, Hydrogen Sulfate - (8alpha,9r)-6'-methoxycinchonan-9-ol Hydrate, Cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, (8.alpha.,9R)-, Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate (2:1) (salt), dihydrate, Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate(2:1) (salt), dihydrate,

Complexity	538
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	782.356g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	782.95g/mol
Monoisotopic Mass	782.356g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	176A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

Lot Number