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93804-96-7 | 5,6-DIHYDRO-9,10-DIMETHOXYBENZO[G]BENZO-1,3-DIOXOLO[5,6-A]QUINOLIZINIUM 5-OXO-L-PROLINATE
CAS No: 93804-96-7 Catalog No: AG0060LU MDL No:
Product Description
Catalog Number:
AG0060LU
Chemical Name:
5,6-DIHYDRO-9,10-DIMETHOXYBENZO[G]BENZO-1,3-DIOXOLO[5,6-A]QUINOLIZINIUM 5-OXO-L-PROLINATE
CAS Number:
93804-96-7
Molecular Formula:
C25H24N2O7
Molecular Weight:
464.4673
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;(2S)-5-oxopyrrolidine-2-carboxylate
InChI:
InChI=1S/C20H18NO4.C5H7NO3/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;7-4-2-1-3(6-4)5(8)9/h3-4,7-10H,5-6,11H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/q+1;/p-1/t;3-/m.0/s1
InChI Key:
GFNVLLKVQVYDNO-HVDRVSQOSA-M
SMILES:
O=C1CC[C@H](N1)C(=O)[O-].COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1
EC Number:
298-475-4
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
464.158g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.474g/mol
Monoisotopic Mass:
464.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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