AG001CWJ

140853-10-7 | Cinchonan, 9,9''-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6'-methoxy-, (9S)-(9''S)-

AG001CWJ

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CAS Number	140853-10-7
Catalog Number	AG001CWJ(AGN-PC-0PPZ9A)
Chemical Name	Cinchonan, 9,9''-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6'-methoxy-, (9S)-(9''S)-
IUPAC Name	1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
InChI	InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43+,44+,45-,46-/m0/s1
InChI Key	YUCBLVFHJWOYDN-HVLQGHBFSA-N
MDL Number	MFCD00198107
Molecular Formula	C48H54N6O4
Molecular Weight	778.9802
SMILES	C(C)[C@@H]1[C@@H]2C[C@@H](N(C1)CC2)[C@@H](OC2=NN=C(C1=CC=CC=C21)O[C@@H](C2=CC=NC1=CC=C(C=C21)OC)[C@@H]2N1C[C@@H]([C@H](C2)CC1)CC)C1=CC=NC2=CC=C(C=C12)OC
Synonyms	(DHQD)2PHAL, 140853-10-7, AD-mix-beta, (DHQD)2 PHAL, Hydroquinidine 1,4-phthalazinediyl diether, 1,4-bis[(S)-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]phthalazine, AD-mix-|A, AD-mix-ss, 1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine, C48H54N6O4, AD-mix beta, PubChem21101, (DHQD)2PHAI, SCHEMBL541620, DTXSID30458959, YUCBLVFHJWOYDN-HVLQGHBFSA-N, (DHQD)2PHAL, >=95%, KS-000002DY, MFCD00198107, ZINC97943289, AKOS015950620, GS-3098, Hydroquinidine1,4-phthalazinediyldiether, Hydroquinine-1,4-phthalazinediyl diether, AC-30198, AN-31603, BC677700, BP-12218, BP-12300, K802, SC-20579, AB0005121, AB1001964, ST2401982, 853D107, J-007423, Hydroquinidine 1,4-phthalazinediyl diether((DHQD)2PHAL?, Hydroquinidine 1,4-phthalazinediyl diether, (DHQD)2PHAL, 1,4-bis((1S)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine, 1,4-bis((S)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine, 1,4-Bis[(S)-(6-methoxy-4-quinolinyl)[(2R,4S,5R)-5-ethylquinuclidine-2-yl]methoxy]phthalazine, 1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methoxy]phthalazine, DHQD)2PHAL, Hydroquinidine 1,4-phthalazinediyl ether, CID11217202, 1,4-bis[(R)-[(7S)-5-ethyl-1-azabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine,

Complexity	1250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	778.421g/mol
Formal Charge	0
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	778.998g/mol
Monoisotopic Mass	778.421g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	95A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P261-P272-P280-P302+P352-P333+P313-P362+P364-P501
UN Code

Certificate of Analysis

Lot Number