AG002YIC

29477-83-6 | [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-

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CAS Number	29477-83-6
Catalog Number	AG002YIC(AGN-PC-0R51QO)
Chemical Name	[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-
IUPAC Name	(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
InChI	InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
InChI Key	LZAZURSABQIKGB-AEKGRLRDSA-N
MDL Number	MFCD01729949
Molecular Formula	C14H13NO7
Molecular Weight	307.2555
NSC Number	266535
SMILES	O=C1N[C@@]2([H])[C@H](O)[C@H](O)[C@@H](O)C=C2C3=C1C(O)=C4C(OCO4)=C3
Synonyms	narciclasine, Narciclasine, Lycoricidinol, 29477-83-6, Lycoricidin-A, Narciclasina, NSC 266535, BRN 1087400, Lycorcidinol, Nacriclasine, NSC266535, C14H13NO7, CHEMBL98745, 3,4,4a,5-Tetrahydro-2,3,4,7-tetrahydroxy-(1,3)dioxolo(4,5-j)phenanthridin-6(2H)-one, CHEBI:70169, MFCD01729949, (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, (2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one, (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S-(2-alpha,3-beta,4-beta,4a-beta))-, (2S-(2-alpha,3-beta,4-beta,4a-beta))-3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-(1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one,3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-, MLS002703039, AC1L2HYD, AC1Q6FUJ, SCHEMBL625165, cid_619061, CTK4G3381, DTXSID70183677, Narciclasine, >=98% (HPLC), ZINC4097652, 3911AH, BDBM50293603, AKOS024457767, CS-1051, NSC-266535, HY-16563, LS-62815, NCI60_002146, C08533, W-5269, J-017538, BRD-K06792661-001-01-9, (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-,(2S-(2-alpha,3-beta,4-beta,4a-beta))-, (2S,3R,4S,4aR)-3,4,4a,5-Tetrahydro-2,3,4,7-tetrahydroxy-(1,3)dioxolo(4,5-j)phenanthridin-6(2H)-one, [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-, [1,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-, D0OQ1I, KST-1A3614, CID72376, AR-1A3418, C14-H13-N-O7, ACN-056739, A3642, [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-,

Complexity	523
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	307.069g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	307.258g/mol
Monoisotopic Mass	307.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H340
Packing Group
Precautionary statements	P201-P308+P313
UN Code

Certificate of Analysis

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