AG003OWN

524-61-8 | Cinchonidine sulfate

AG003OWN

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	524-61-8
Catalog Number	AG003OWN(AGN-PC-0SCSOP)
Chemical Name	Cinchonidine sulfate
EC Number	208-362-3
IUPAC Name	(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;sulfuric acid
InChI	InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18-,19+;/m00./s1
InChI Key	WBBHOISPYYYBTC-IDJJGHEZSA-N
MDL Number	MFCD00067565
Molecular Formula	C19H28N2O7S
Molecular Weight	428.4998
SMILES	O.O.OS(O)(=O)=O.O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
UNII	5JT77A1M4W
Synonyms	Cinchonidine sulphate, CINCHONIDINE SULFATE, 524-61-8, UNII-5JT77A1M4W, 5JT77A1M4W, EINECS 208-362-3, Cinchonidine sulfate dihydrate, (8-alpha,9R)-Cinchonan-9-ol sulfate (2:1) (salt), Cinchonidine, sulfate (2:1) (salt), Cinchonidine sulfate [NF], Cincholidine sulfate, PubChem7958, 2C19H22N2O.H2SO4, 5098AF, MFCD00067565, Cinchonan-9-ol, (8-alpha,9R)-, sulfate (2:1) (salt) (9CI), (R)-quinolin-4-yl((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hemisulfate, C19H22N2O.1/2H2O4S, C19-H22-N2-O.1/2H2-O4-S,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	686.314g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	686.868g/mol
Monoisotopic Mass	686.314g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	156A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number