200,000+ products from a single source!
sales@angenechem.com
158080-71-8 | 1-Propanone, 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride, (S)- (9CI)
CAS No: 158080-71-8 Catalog No: AG001PYL MDL No:
Product Description
Catalog Number:
AG001PYL
Chemical Name:
1-Propanone, 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride, (S)- (9CI)
CAS Number:
158080-71-8
Molecular Formula:
C21H28ClNO4
Molecular Weight:
393.9043
IUPAC Name:
1-[5-hydroxy-2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
InChI:
InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16;/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3;1H/t18-;/m0./s1
InChI Key:
FAYLNKVZLXBDBE-FERBBOLQSA-N
SMILES:
CCCNC[C@@H](COc1ccc(cc1C(=O)CCc1ccccc1)O)O.Cl
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
393.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.908g/mol
Monoisotopic Mass:
393.171g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.