AG00DEFZ

485-49-4 | (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one

AG00DEFZ

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CAS Number	485-49-4
Catalog Number	AG00DEFZ(AGN-PC-0RZZGE)
Chemical Name	(6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
EC Number	207-619-7
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
InChI	InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
InChI Key	IYGYMKDQCDOMRE-ZWKOTPCHSA-N
MDL Number	MFCD00005006
Molecular Formula	C20H17NO6
Molecular Weight	367.3521
NSC Number	32192
SMILES	CN1[C@H]([C@H]2c3c(C(=O)O2)c2c(cc3)OCO2)c2c(CC1)cc1c(c2)OCO1
UNII	Y37615DVKC
Synonyms	6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)1,3-benzodioxol-8(6H)one, Bicuculline, (+)-Bicuculline, bicuculline, d-Bicuculline, 485-49-4, Bicculine, Bicucullin, Bicuculline (+), UNII-Y37615DVKC, NSC 32192, C20H17NO6, EINECS 207-619-7, BRN 0098786, CHEBI:3092, CHEMBL417990, Y37615DVKC, (6R)-6-[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one, NSC32192, MFCD00005006, Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,S*))-, (6R)-6-((5S)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxolano[4,5-g]isoquinolin-5- yl))-6-hydro-2H-1,3-dioxoleno[4,5-e]isobenzofuran-8-one, (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one, (R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuro[5,4-d][1,3]dioxol-8(6H)-one, Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-, SR-01000075252, Bicuculline,(+), Prestwick_96, Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-((5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R)-, AC1L1URW, Prestwick0_000589, Prestwick1_000589, Prestwick2_000589, Prestwick3_000589, Biomol-NT_000252, (+)-Bicuculline, 98%, SCHEMBL8222, Lopac0_000234, BSPBio_000438, 4-27-00-06900 (Beilstein Handbook Reference), MLS002153892, DivK1c_000609, SPBio_002657, BPBio1_000482, BPBio1_000794, GTPL2312, DTXSID3042687, HMS501O11, KBio1_000609, AOB5192, NINDS_000609, HMS1569F20, HMS2096F20, HMS2235H18, HMS3266A07, HMS3652N20, HMS3678D19, BCP04180, HY-N0219, BDBM50000693, NSC-32192, PDSP2_000138, s7071, ZINC19899011, AKOS024282673, API0002224, CCG-204329, CS-5493, DB11562, IDI1_000609, NCGC00017385-06, (+)-Bicuculline, >=97.0% (TLC), 6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)1,3-benzodioxol-8(6H)one, AN-45228, AS-17471, LS-70680, SC-17991, SMR001233241, ST057559, ST057706, AB0019776, FT-0080946, N1592, SW196408-2, V0271, A12590, B 9130, C09364, 485B494, C-21058, SR-01000075252-1, SR-01000075252-4, SR-01000075252-5, WLN: T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ, (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]lisoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one, (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-e][1,3]benzodioxol-8-one, (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one, (bicuculline) 6-Methyl-5-(8-oxo-6,8-dihydro-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-6-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, (R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one, [R-(R*,S*)]-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-((5S)-6-methyl-5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoquinolin-5-yl)-6 -hydro-2H-1,3-dioxoleno[4,5-e]isobenzofuran-8-one, 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one, 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one (Bicuculline), 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one(bicuculline), Furo[3,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,S*)]-, Furo[3,4-e]-1,3-benzodioxol-8(6H)-one,6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-, H0Z, bicuculline methochloride, Bicuculline methiodide, D00LBX, CID10237, C20-H17-N-O6, ACN-035748, B1890, B-2400, D001640, ( )-Bicuculline, 99%, a GABAA antagonist - 100MG 100mg, 56083-00-2, BIC,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	367.106g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	367.357g/mol
Monoisotopic Mass	367.106g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1544

Certificate of Analysis

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