200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 116988-08-0
116988-08-0 | Benzoic acid, 6-[(acetyloxy)(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)methyl]-2,3-dimethoxy-, [S-(R*,S*)]- (9CI)
CAS No: 116988-08-0 Catalog No: AG000DGC MDL No:
Product Description
Catalog Number:
AG000DGC
Chemical Name:
Benzoic acid, 6-[(acetyloxy)(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)methyl]-2,3-dimethoxy-, [S-(R*,S*)]- (9CI)
CAS Number:
116988-08-0
Molecular Formula:
C24H27NO9
Molecular Weight:
473.4725
IUPAC Name:
6-[(S)-acetyloxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzoic acid
InChI:
InChI=1S/C24H27NO9/c1-12(26)34-20(14-6-7-15(29-3)21(30-4)18(14)24(27)28)19-17-13(8-9-25(19)2)10-16-22(23(17)31-5)33-11-32-16/h6-7,10,19-20H,8-9,11H2,1-5H3,(H,27,28)/t19-,20+/m1/s1
InChI Key:
BHGUILBSZCQXQU-UXHICEINSA-N
SMILES:
COc1ccc(c(c1OC)C(=O)O)[C@@H]([C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1)OC(=O)C
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
473.169g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.478g/mol
Monoisotopic Mass:
473.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.