200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1622136-46-2
1622136-46-2 | Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (11bS)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one (1
CAS No: 1622136-46-2 Catalog No: AG00ABRZ MDL No:
Product Description
Catalog Number:
AG00ABRZ
Chemical Name:
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (11bS)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one (1
CAS Number:
1622136-46-2
Molecular Formula:
C30H28N2O9
Molecular Weight:
560.5513
IUPAC Name:
(11bS)-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one;(2S,3S)-2,3-dibenzoyloxybutanedioic acid
InChI:
InChI=1S/C18H14O8.C12H14N2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-10,13-14H,(H,19,20)(H,21,22);1-4,11,13H,5-8H2/t13-,14-;11-/m01/s1
InChI Key:
KOTNMEYIXWLYTJ-MCTZVTBQSA-N
SMILES:
OC(=O)[C@H]([C@@H](C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1.O=C1CNC[C@H]2N1CCc1c2cccc1
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
560.179g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
560.559g/mol
Monoisotopic Mass:
560.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.