AG00BY35

3621-38-3 | 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol

AG00BY35

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CAS Number	3621-38-3
Catalog Number	AG00BY35(AGN-PC-0JLAM7)
Chemical Name	2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
EC Number	222-817-3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
InChI	InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChI Key	MXTLAHSTUOXGQF-UHFFFAOYSA-O
MDL Number	MFCD01310242
Molecular Formula	C20H20NO4
Molecular Weight	338.3771
SMILES	OC1=CC2=C(C3=CC4=C(C=[N+]3CC2)C(=C(C=C4)OC)OC)C=C1OC
UNII	091S1F8V5Q
Synonyms	jatrorrhizine, jatrorrhizine chloride, Jatrorrhizine, 3621-38-3, neprotin, jateorrhizine, Yatrorizine, UNII-091S1F8V5Q, 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol, CHEBI:6087, CHEMBL251055, GNF-PF-220, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium, 091S1F8V5Q, Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, 3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium, 3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino-[3,2-a]isoquinolin-7-ium, NSC150445, NSC209410, NSC645313, Jatrochizine, Jatrorhizine, EINECS 222-817-3, AC1L2HUV, AC1Q58BM, MLS000563433, SCHEMBL564128, MEGxp0_001765, CTK5C5258, DTXSID40189767, MXTLAHSTUOXGQF-UHFFFAOYSA-O, HMS2224L17, HMS3354I18, ZINC338122, 5,6-Dihydro-3-hydroxy-2,9,10-trimethoxydibenzo[a,g]quinolizinium, BDBM50226670, AKOS015896759, NCGC00247622-01, AK112797, NCI60_042074, SC-22071, SMR000232285, ZB010895, DB-050230, FT-0686648, N1599, V0725, C09553, 621J383, I07-0215, 7,8,13,13a-tetrahydro-3-hydroxy-2,9,10-trimethoxyberbinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-dibenzo[a,g]quinolizinium, 7,8,13,13|A-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium, 2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium-3-ol, Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy- (8CI), 2,9,10-Trimethoxy-5,6-dihydro-7lambda~5~-isoquino[3,2-a]isoquinolin-3-ol hydrochloride, Dibenzo[a,g]quinolizinium,5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, chloride (1:1), Jatrorrhizine chloride, Protoberberine alkaloid, Jatrorrhizine hydrochloride, D0V0NM, C20H20NO4, CID72323, NSC93137, AR-1H2902, C20-H20-N-O4, ACN-035715, 1845B, O(C)c1cc2c(CCn3cc4c(ccc(OC)c4OC)cc23)cc1O, C055785, Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-, 6681-15-8, 68155-99-7, 960383-96-4,

Complexity	461
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.139g/mol
Formal Charge	1
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	338.383g/mol
Monoisotopic Mass	338.139g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H400
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number