Fluphenazine decanoate

C₃₂H₄₄F₃N₃O₂SCAS 5002-47-1591.78 g/mol

Open in Covalent MOL file

Alkyl halide Ester Sulfide Tertiary amine

Properties

Molecular formula: C₃₂H₄₄F₃N₃O₂S
Molar mass: 591.78 g/mol
Exact mass: 591.3106 Da
Melting point: 30–32 °C
logP: 8.00Crippen estimate
Polar surface area: 36.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 15

Hazards

Danger

H300 Fatal if swallowed40% of notifiers
H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin56.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction60% of notifiers
H332 Harmful if inhaled56.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled56.7% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

5002-47-1

SMILES

CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

InChIKey

VIQCGTZFEYDQMR-UHFFFAOYSA-N

InChI

InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3

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

Names and synonyms

15 names · show all

Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, decanoate (ester)
SQ 10733
Fluorophenazine decanoate
Dapotum D
Lyogen
Modecate
Flufenazine decanoate
Prolixin decanoate
Moditen depot
QD 10733
Depot
NSC 169510
2-(4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethyl decanoate

Work with Fluphenazine decanoate

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

Trifluoperazine117-89-561 % similar Trifluoperazine hydrochloride440-17-558 % similar Fluphenazine hydrochloride146-56-556 % similar Prochlorperazine58-38-841 % similar Diethyl aminoethyl hexanoate10369-83-240 % similar Perphenazine58-39-939 % similar Aripiprazole lauroxil1259305-29-736 % similar Decanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester848484-93-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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