Name: Name:2H-Naphth[1,8-cd]isothiazole, 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-, 1,1-dioxide
Brand: Angene
SKU: AG000X89
Rating: 90 (10 reviews)

2H-Naphth[1,8-cd]isothiazole, 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-, 1,1-dioxide

CAS No.:

127625-29-0

Catalog Number:

AG000X89

Molecular Formula:

C23H24FN3O2S

Molecular Weight:

425.5190

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Product Description

Catalog Number:

AG000X89

Chemical Name:

2H-Naphth[1,8-cd]isothiazole, 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-, 1,1-dioxide

CAS Number:

127625-29-0

Molecular Formula:

C23H24FN3O2S

Molecular Weight:

425.5190

MDL Number:

MFCD00866648

IUPAC Name:

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide

InChI:

InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2

InChI Key:

VGIGHGMPMUCLIQ-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3

UNII:

38QJ762ET6

Properties

Complexity:

683

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

425.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

425.522g/mol

Monoisotopic Mass:

425.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Why are most phospholipidosis inducers also hERG blockers?	Archives of toxicology 20171201
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.	Journal of medicinal chemistry 20090723
Ordering and disordering of molecular solids upon mechanical milling: the case of fananserine.	Journal of pharmaceutical sciences 20081101
Molecular mobility in glass forming fananserine: a dielectric, NMR, and TMDSC investigation.	Pharmaceutical research 20060401
N-[(3S)-1-benzylpyrrolidin-3-yl]-(2-thienyl)benzamides: human dopamine D4 ligands with high affinity for the 5-HT2A receptor.	Bioorganic & medicinal chemistry letters 20051201
[Thermodynamics of drug polymorphism: domains and stability hierarchy by pressure temperature diagram. Application to the tetramorphism of fananserine].	Annales pharmaceutiques francaises 20020501
4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists.	Journal of medicinal chemistry 20020117
Current and novel approaches to the drug treatment of schizophrenia.	Journal of medicinal chemistry 20010215
Autoradiographic studies of RP 62203, a potent 5-HT2 receptor antagonist. Pharmacological characterization of [3H]RP 62203 binding in the rat brain.	European journal of pharmacology 19930316

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