Ketanserin

C22H22FN3O3CAS 74050-98-9395.43 g/mol

Open in Covalent MOL file
OFNNHONO
Aryl halideKetonePhenolTertiary amine

Properties

Molecular formula
C22H22FN3O3
Molar mass
395.43 g/mol
Exact mass
395.1645 Da
Melting point
231 °C
logP
2.84Crippen estimate
Polar surface area
75.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
74050-98-9
SMILES
O=C(c1ccc(F)cc1)C1CCN(CCn2c(O)nc3ccccc3c2=O)CC1
InChIKey
FPCCSQOGAWCVBH-UHFFFAOYSA-N
InChI
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-
  • 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione
  • R 41468
  • Ketensin
  • Vulketan gel
  • Suffrexal

Work with Ketanserin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ketanserin tartrate83846-83-7Salt

Similar compounds

Benperidol2062-84-246 % similar 1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride192927-92-742 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-641 % similar Pimozide2062-78-439 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-738 % similar Droperidol548-73-237 % similar p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-236 % similar Flibanserin167933-07-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azd24611174043-16-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook