Home Other Building Blocks FLUPENTIXOL IMPURITY D

FLUPENTIXOL IMPURITY D

CAS No.:
791521-96-5
Catalog Number:
AG00G6UU
Molecular Formula:
C25H29F3N2O2S
Molecular Weight:
478.5702
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00G6UU
Chemical Name:
FLUPENTIXOL IMPURITY D
CAS Number:
791521-96-5
Molecular Formula:
C25H29F3N2O2S
Molecular Weight:
478.5702
MDL Number:
MFCD30478748
IUPAC Name:
2-[2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
InChI:
InChI=1S/C25H29F3N2O2S.2ClH/c26-25(27,28)19-7-8-24-22(18-19)20(21-4-1-2-6-23(21)33-24)5-3-9-29-10-12-30(13-11-29)14-16-32-17-15-31;;/h1-2,4-8,18,31H,3,9-17H2;2*1H/b20-5-;;
InChI Key:
AJLQNNHGRZKSBV-DGULFEPMSA-N
SMILES:
OCCOCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
550.144g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
551.49g/mol
Monoisotopic Mass:
550.144g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties