Tilorone hydrochloride

C₂₅H₃₆Cl₂N₂O₃CAS 27591-69-1483.47 g/mol

Open in Covalent MOL file

Ether Ketone Tertiary amine

Properties

Molecular formula: C₂₅H₃₆Cl₂N₂O₃
Molar mass: 483.47 g/mol
Exact mass: 482.2103 Da
Melting point: 235–237 °C
logP: 5.18Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 12

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H351 Suspected of causing cancer97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27591-69-1

SMILES

CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2.Cl.Cl

InChIKey

BSVYJQAWONIOOU-UHFFFAOYSA-N

InChI

InChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H

Weigh it out

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

Names and synonyms

10 names

9H-Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-, hydrochloride (1:2)
Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride
9H-Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-, dihydrochloride
Tilorone dihydrochloride
DEAE-F
RMI 10008DA
RMI 10028DA
Amyxin
NSC 143969
Amixinum

Work with Tilorone hydrochloride

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

Guayule65202-07-550 % similar Tesmilifene98774-23-344 % similar Enclomiphene15690-57-042 % similar Adiphenine hydrochloride50-42-042 % similar Procaine hydrochloride51-05-842 % similar Clomiphene911-45-542 % similar Chloroprocaine hydrochloride3858-89-741 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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