AG00BBZS

2141-09-5 | (+)-Magnoflorine iodide

AG00BBZS

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CAS Number	2141-09-5
Catalog Number	AG00BBZS(AGN-PC-0QXZ4B)
Chemical Name	(+)-Magnoflorine iodide
IUPAC Name	(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol
InChI	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
InChI Key	YLRXAIKMLINXQY-ZDUSSCGKSA-O
MDL Number	MFCD03427294
Molecular Formula	C20H24NO4
Molecular Weight	342.4089
SMILES	C[N+]1(C)CCC2=CC(OC)=C(O)C3=C2[C@]1([H])CC4=CC=C(OC)C(O)=C34
UNII	NI8K6962K4
Synonyms	magnoflorine, magnoflorine iodide, (S)-isomer, magnoflorine perchlorate, (S)-isomer, Magnoflorine, 2141-09-5, Escholin, Escholine, Thalictrin, (+)-Magnoflorine, Thalictrine, (S)-magnoflorine, UNII-NI8K6962K4, CHEBI:6641, (+)-Magnoflorine Iodide, NI8K6962K4, (s)-5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4h-dibenzo[de,g]quinolinium, 6a-alpha-Aporphinium, 1,11-dihydroxy-2,10-dimethoxy-6-methyl-, (6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium, 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-,(6aS)-, AC1L2JOM, AC1Q7AYF, 6681-18-1, magnoflorine iodide, (+)-, CHEMBL235428, CTK5D5776, Magnoflorine, >=98% (HPLC), ZINC519823, MFCD09031380, AKOS032948336, BC216270, LS-61229, W1153, C09581, 1,11-dihydroxy-2,10-dimethoxy-6-methyl-6a-alpha-aporphiniu, g)quinolinium,5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-4h-dibenzo(d, 5,6,6a(S),7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium chloride, Aporphine alkaloid, -MAGNOFLORINEIODIDE, dimethoxy(dimethyl)[?]diol, C20H24NO4, magnoflorine iodide, (S)-isomer, KST-1A8057, CID73337, AR-1A7875, magnoflorine perchlorate, (S)-isomer, ACN-047249, 1972B, C001670, 75026-31-2, (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol, 7224-58-0,

Complexity	498
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	342.171g/mol
Formal Charge	1
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	342.415g/mol
Monoisotopic Mass	342.171g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number