AG0032KU

3895-92-9 | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride

AG0032KU

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CAS Number	3895-92-9
Catalog Number	AG0032KU(AGN-PC-0RI6IC)
Chemical Name	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride
EC Number	223-444-9
IUPAC Name	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
InChI	InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
InChI Key	WEEFNMFMNMASJY-UHFFFAOYSA-M
MDL Number	MFCD00060717
Molecular Formula	C21H18ClNO4
Molecular Weight	383.8249
SMILES	[Cl-].COC1=C2C=[N+](C=3C4=C(C=CC3C2=CC=C1OC)C=C1OCOC1=C4)C
UNII	7IC98TZ0PZ
Synonyms	chelerythrine, chelerythrine chloride, chelerythrine hydroxide, chelerythrine sulfate, norchelerythrine, Chelerythrine chloride, 3895-92-9, Chelerythrinechloride, Chelerythrine hydrochloride, UNII-7IC98TZ0PZ, 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride, Chelerythrine, chloride, EINECS 223-444-9, NSC 36405, 7IC98TZ0PZ, CHEMBL258893, MFCD00060717, AK115162, Q-100414, Q-200824, 1,2-Dimethoxy-N-methyl-[1,3]-benzodioxolo[5,6c]phenanthridinium, C21H18ClNO4, 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride, 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride, 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride, Chelerythrine HCl, 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride, C21H18NO4, chelerythrine chlorid, NSC646662, 1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride, SR-01000075750, Chelerythrine cloride, Chelerythrine-chloride, Chelerythrine, hydroxide, hydrochloride, Chelerythrine, hydrochloride, AC1L2HU4, AC1Q1SO4, SCHEMBL195109, KS-00001CVS, BIC1008, ZX-AFC001509, BCPP000287, HMS3229C07, HMS3260B04, NSC36405, Tox21_500241, GP2808, NSC-36405, AKOS016010038, BCP9000516, CCG-206741, CS-0205, LP00241, NSC-646662, (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride, (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI), NCGC00093703-01, NCGC00260926-01, AS-17480, HY-12048, LS-52942, SC-76777, BCP0726000282, AX8120561, 4CH-024642, EU-0100241, FT-0602998, ST24036719, V0358, Chelerythrine, hydroxide, hydrochloride (8CI), A10196, C 2932, W-5057, 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5', C-21392, Q-200825, SR-01000075750-1, [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride, 1,2-DIMETHOXY-N-METHYL-[1,3]BENZODIOXOLO[5,6-C]PHE, 1,2-dimethoxy-n-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride, 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride, 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4\',5\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride, chelerythrine, CHAPS, C21H18NO4.Cl, C21-H18-N-O4.Cl, CID72311, AR-1I1936, 34316-15-9, ACN-035291, A3306, [1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride, [1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (1:1), 4082-91-1,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.092g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	383.828g/mol
Monoisotopic Mass	383.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number