AG002JSP

2086-83-1 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-

AG002JSP

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CAS Number	2086-83-1
Catalog Number	AG002JSP(AGN-PC-0QWPJP)
Chemical Name	Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-
EC Number	218-229-1
IUPAC Name	16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
InChI	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChI Key	YBHILYKTIRIUTE-UHFFFAOYSA-N
MDL Number	MFCD01175817
Molecular Formula	C20H18NO4
Molecular Weight	336.3612
SMILES	COC2=C(OC)C1=C[N+]5=C(C(C(CC5)=C4)=CC3=C4OCO3)C=C1C=C2
UNII	0I8Y3P32UF
Synonyms	Berberine, Umbellatine, berberine, 2086-83-1, Berberin, Umbellatine, UNII-0I8Y3P32UF, 0I8Y3P32UF, C20H18NO4, CHEBI:16118, Berberal, EINECS 218-229-1, BRN 3570374, ST055798, 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium, Berbamine sulphate acid, CHEMBL12089, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium, BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-, GNF-PF-4545, BER, NSC646666, NCGC00016526-02, NCGC00016526-07, CAS-633-65-8, Berbericine, Umbellatin, Berbinium, Majarine, Thalsine, berberine dimer, Coptis rhizome, Berberinechloride, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, Umbellatine (6CI), Spectrum_001110, 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride, Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride, AC1L1DHO, Prestwick0_000586, Prestwick1_000586, Prestwick2_000586, Prestwick3_000586, Spectrum2_000894, Spectrum3_000618, Spectrum4_000785, Spectrum5_001458, UPCMLD-DP032, NCIMech_000354, SCHEMBL25632, BSPBio_000432, BSPBio_002156, KBioGR_001230, KBioSS_001590, cid_12456, DivK1c_000265, inverted exclamation markY97%, SPBio_000708, SPBio_002651, BPBio1_000476, CHEMBL295124, MEGxp0_001923, DTXSID9043857, UPCMLD-DP032:001, ACon1_001957, BCBcMAP01_000112, BERBERINE, ACETONE ADDUCT, CTK6J4626, KBio1_000265, KBio2_001590, KBio2_004158, KBio2_006726, KBio3_001656, NINDS_000265, YBHILYKTIRIUTE-UHFFFAOYSA-N, 34MD1011DM, HMS3561D13, ZINC3779067, AC-117, BBL029198, BDBM50203126, CCG-35898, STK870320, AKOS002141363, DB04115, MCULE-8261808830, RL02584, SDCCGMLS-0066718.P001, IDI1_000265, SMP1_000298, NCGC00016526-01, NCGC00016526-03, NCGC00016526-04, NCGC00016526-05, NCGC00016526-06, NCGC00016526-08, NCGC00016526-11, NCGC00091896-03, AJ-45578, AN-16120, BC201844, LS-43472, NCI60_001050, NCI60_001224, NCI60_004319, SBI-0051613.P002, AB0106411, FT-0603587, N1368, C00757, W-2449, 086B831, Q-200701, Q-200702, SR-01000711827-5, BRD-K14796088-003-06-0, BRD-K14796088-003-17-7, A3125/0132259, Benzylpenicillin benzathine, Antibiotic for Culture Media Use Only, 5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium, 9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium, Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, 3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium, 9,10-dimethoxy-5,6-dihydro-2H-1,3-dioxoleno[4,5-g]isoquinolino[3,2-a]isoquinol ine, 9,10-Dimethoxy-5,6-dihydro-7lambda~5~-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy- (9CI), Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, 16,17-dimethoxy-5,7-dioxa-13$l;{5}-azapentacyclo[11.8.0.0;{2,10}.0;{4,8}.0;{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium, 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,2,4-oxadiazole, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride, InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+, berberine chloride, Berberine?chloride, dimethoxy[?], Berberine hydrochloride, Protoberberine alkaloid, Berberine hydrogen sulfate, Berberine hydrogen sulphate, D0W8WB, CID2353, NSC5355, NSC163088, ACN-035674, D001599, SR-01000711827, 633-66-9, 141433-60-5, 4263-84-7, 633-65-8,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	336.124g/mol
Formal Charge	1
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	336.367g/mol
Monoisotopic Mass	336.124g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number