Perphenazine

C₂₁H₂₆ClN₃OSCAS 58-39-9403.97 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Sulfide Tertiary amine

Properties

Molecular formula: C₂₁H₂₆ClN₃OS
Molar mass: 403.97 g/mol
Exact mass: 403.1485 Da
Melting point: 94–100 °C
Boiling point: 214–218 °C (at 0.15 Torr)
pKa: 7.94
logP: 3.94Crippen estimate
Polar surface area: 29.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed96.3% of notifiers
H317 May cause an allergic skin reaction90.7% of notifiers
H318 Causes serious eye damage18.5% of notifiers
H330 Fatal if inhaled18.5% of notifiers
H361 Suspected of damaging fertility or the unborn child25.9% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58-39-9

SMILES

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

InChIKey

RGCVKNLCSQQDEP-UHFFFAOYSA-N

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

Weigh it out

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

Names and synonyms

35 names · show all

1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-
4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol
2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl] propyl phenothiazine
2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine
Decentan
Etaperazin
Etaperazine
Ethaperazine
Fentazin
1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine
γ-[4-(β-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine
Perphenazin
Trifaron
Trilafon
Trilifan
Chlorperphenazine
Perfenazine
Fentazine duolets
Fentazin syrup
Thilatazin
Tranquisan
Emesinal
Perphenan
PZC
Sch 3940
Triphenot
Chloriprozine
NSC 150866
Perfenil
Mutabom
PZC (tranquilizer)
2-[4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl]-ethanol
2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
2-[4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl]ethan-1-ol

Work with Perphenazine

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

Similar compounds

Prochlorperazine58-38-875 % similar Fluphenazine hydrochloride146-56-564 % similar Chlorpromazine hydrochloride69-09-063 % similar Zuclopenthixol53772-83-153 % similar Trifluoperazine117-89-550 % similar Trifluoperazine hydrochloride440-17-548 % similar Promazine hydrochloride53-60-143 % similar Clomipramine303-49-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook