Fenretinide

C₂₆H₃₃NO₂CAS 65646-68-6391.56 g/mol

Open in Covalent MOL file

Alkene Amide Phenol

Properties

Molecular formula: C₂₆H₃₃NO₂
Molar mass: 391.56 g/mol
Exact mass: 391.2511 Da
Melting point: 173–175 °C
logP: 6.86Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6
Double bonds: E, E, E, EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin95.3% of notifiers
H315 Causes skin irritation95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H332 Harmful if inhaled95.3% of notifiers
H335 May cause respiratory irritation93% of notifiers
H360 May damage fertility or the unborn child97.7% of notifiers

Aggregated from 43 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

65646-68-6

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1

InChIKey

AKJHMTWEGVYYSE-FXILSDISSA-N

InChI

InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+

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

Names and synonyms

12 names

Retinamide, N-(4-hydroxyphenyl)-
N-(4-Hydroxyphenyl)retinamide
N-(4-Hydroxyphenyl)-all-trans-retinamide
Retinoic acid p-hydroxyphenylamide
All-trans-N-(4-Hydroxyphenyl)retinamide
(4-Hydroxyphenyl)retinamide
Ro 22-4667
4-HPR
All-trans-4′-Hydroxyretinanilide
RII retinamide
MK 4016
Retinoic acid p-hydroxyanilide

Work with Fenretinide

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

4-Oxo-N-(4-hydroxyphenyl)retinamide865536-65-875 % similar Viaminate53839-71-772 % similar Retinoic acid302-79-462 % similar Isotretinoin4759-48-262 % similar 9-cis-Retinoic acid5300-03-862 % similar Beta-carotene7235-40-758 % similar Retinal116-31-456 % similar Retinyl retinoate15498-86-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Abiraterone acetate154229-18-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia