sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Iloperidone metabolite Hydroxy Iloperidone

Iloperidone metabolite Hydroxy Iloperidone

CAS No.:
133454-55-4
Catalog Number:
AG009CII
Molecular Formula:
C24H29FN2O4
Molecular Weight:
428.4965
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$457
- +
50mg
99%
1 week
United States
$1557
- +
Product Description
Catalog Number:
AG009CII
Chemical Name:
Iloperidone metabolite Hydroxy Iloperidone
CAS Number:
133454-55-4
Molecular Formula:
C24H29FN2O4
Molecular Weight:
428.4965
MDL Number:
MFCD19705003
IUPAC Name:
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol
InChI:
InChI=1S/C24H29FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-17,28H,3,8-13H2,1-2H3
InChI Key:
SBKZGLWZGZQVHA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(O)C
Properties
Complexity:
548  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.211g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
428.504g/mol
Monoisotopic Mass:
428.211g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873). Journal of medicinal chemistry 19950331
Properties