AG00DEW9

5096-57-1 | 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)-

AG00DEW9

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CAS Number	5096-57-1
Catalog Number	AG00DEW9(AGN-PC-0S9ECA)
Chemical Name	6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)-
EC Number	225-815-0
IUPAC Name	(1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
InChI	InChI=1S/C20H21NO4/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/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
InChI Key	VZTUIEROBZXUFA-INIZCTEOSA-N
MDL Number	MFCD00236139
Molecular Formula	C20H21NO4
Molecular Weight	339.3850
SMILES	COC1=C2CN3[C@](CC2=CC=C1OC)([H])C4=CC(OCO5)=C5C=C4CC3
UNII	Q97V5BUT9D
Synonyms	Canadine l-form, 5096-57-1, (S)-Canadine, (S)-Tetrahydroberberine, (-)-Tetrahydroberberine, UNII-Q97V5BUT9D, (-)-Canadine, (S)-(-)-Canadine, EINECS 225-815-0, Q97V5BUT9D, CHEBI:16592, 5,6,13,13a-Tetrahydro-9,10-dimethoxy-2,3-(methylenedioxy)-8H-dibenzo(a,g)quinolizine, 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (S)-, 13a-alpha-BERBINE, 9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-, Tetrahydroberberine,THB, (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, (13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline, alpha-canadine, canadine, (S)-isomer, AC1L2HS2, SCHEMBL432394, CHEMBL490533, DTXSID10110003, BDBM50429047, CCG-36046, ZINC19701796, AKOS032962408, LS-43450, N2130, W1172, C03329, UNII-V2SSH085X8 component VZTUIEROBZXUFA-INIZCTEOSA-N, (13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine, (13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline, 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)-, 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)-, Canadine, Xanthopuccine, Tetrahydroberberine, dimethoxy[?], Protoberberine alkaloid, Canadine, (-)-, C20H21NO4, (S)-Tetrahydroprotoberberine, NSC 36351, CID21171, NSC36351, C20-H21-N-O4, 9,10-Dimethoxy-2,3-(methylenedioxy)berbine, 13a.alpha.-Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)-, 522-97-4, 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (S)-,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	339.147g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	339.391g/mol
Monoisotopic Mass	339.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number