Manzamine A HCl

Catalog Number	ACM104264804
CAS Number	104264-80-4
Synonyms	Manzamine A hydrochloride
Molecular Weight	585.2
InChI	InChI=1S/C36H44N4O.ClH/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33;/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2;1H/b4-1-,13-7-;/t26-,30-,34+,35-,36-;/m0./s1
InChI Key	DIVWQABXFSWTEF-YTGAITGWSA-N
Purity	95%+
Complexity	1050
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Exact Mass	584.3281898
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isomeric SMILES	C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78.Cl
Monoisotopic Mass	584.3281898
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	55.4 Ų

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