Home Halogens Pyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

Pyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

CAS No.:
210095-58-2
Catalog Number:
AG002KK8
Molecular Formula:
C21H25ClN2O7
Molecular Weight:
452.8854
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Product Description
Catalog Number:
AG002KK8
Chemical Name:
Pyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Number:
210095-58-2
Molecular Formula:
C21H25ClN2O7
Molecular Weight:
452.8854
MDL Number:
MFCD17019358
IUPAC Name:
2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI:
InChI=1S/C17H19ClN2O.C4H6O6/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;5-1(3(7)8)2(6)4(9)10/h1-7,10,15,17,19H,8-9,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m01/s1
InChI Key:
MLVGFEZTZHIUGZ-YRSVLNEHSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.Clc1ccc(cc1)[C@@H](c1ccccn1)OC1CCNCC1
Properties
Complexity:
435  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
452.135g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
452.888g/mol
Monoisotopic Mass:
452.135g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties