AG002CKF

200132-54-3 | Cinchonanium, 1-(9-anthracenylmethyl)-9-(2-propenyloxy)-, bromide, (8α,9R)-

AG002CKF

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CAS Number	200132-54-3
Catalog Number	AG002CKF(AGN-PC-0QR5CS)
Chemical Name	Cinchonanium, 1-(9-anthracenylmethyl)-9-(2-propenyloxy)-, bromide, (8α,9R)-
IUPAC Name	4-[(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline;bromide
InChI	InChI=1S/C37H37N2O.BrH/c1-3-21-40-37(33-17-19-38-35-16-10-9-15-32(33)35)36-23-27-18-20-39(36,24-26(27)4-2)25-34-30-13-7-5-11-28(30)22-29-12-6-8-14-31(29)34;/h3-17,19,22,26-27,36-37H,1-2,18,20-21,23-25H2;1H/q+1;/p-1/t26-,27-,36-,37+,39?;/m0./s1
InChI Key	QOWNPAUSLGATNL-JNKXQCINSA-M
MDL Number	MFCD01632446
Molecular Formula	C37H37BrN2O
Molecular Weight	605.6065
SMILES	C([N@@+]12[C@]([C@H](OCC=C)C=3C4=C(N=CC3)C=CC=C4)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C=5C6=C(C=C7C5C=CC=C7)C=CC=C6.[Br-]
Synonyms	O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide, 200132-54-3, (-)-o-(9)-Allyl-N-(9-anthracenylmethyl) cinchonidinium bromide, o-allyl-n-(9-anthracenylmethyl)-cinchonidinium bromide, C37H37N2O.Br, SCHEMBL2000663, QOWNPAUSLGATNL-JNKXQCINSA-M, 3943AH, AS-40817, SC-49400, J-012943, 0-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide, o-allyl-n-(9-anthracenylmethyl) cinchonidinium bromide, O-ALLYL-N-(9-ANTHRACENYLMETHYL)-CINCHONIDINIUM BRO, O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide, 90%, (2s,4s,5r)-2-((r)-allyloxy(quinolin-4-yl)methyl)-1-(anthracen-9-ylmethyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane bromide, 4-[[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline,bromide, O-Allyl-N- cinchonidiniumbromide, CID10886583, CID 11847685,

Complexity	865
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	604.20893g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	605.6g/mol
Monoisotopic Mass	604.20893g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	22.1Ų
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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