CAS No.65646-68-6,4-HYDROXYPHENYLRETINAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	65646-68-6
Name:	4-HYDROXYPHENYLRETINAMIDE
Article Data:	6

Formula:	C₂₆H₃₃NO₂
Molecular Weight:	391.554
Synonyms:	(4-Hydroxyphenyl)retinamide;4-HPR;Fenretinide;N-(4-Hydroxyphenyl)-all-trans-retinamide;N-(4-Hydroxyphenyl)retinamide;RII retinamide;Retinoic acidp-hydroxyphenylamide;Ro 22-4667;all-trans-4'-Hydroxyretinanilide;all-trans-N-(4-Hydroxyphenyl)retinamide;
EINECS:	200-256-5
Density:	1.081 g/cm³
Melting Point:	162-163°C
Boiling Point:	597.6 ºC at 760 mmHg
Flash Point:	315.2 ºC
Solubility:	Soluble to 100 mM in Ethanol and to 100 mM in DMSO
Appearance:	Yellow Powder
Hazard Symbols:
Risk Codes:	60;61;20/21/22;36/37/38
Safety:	53-26-36/37/39-45
PSA:	49.33000
LogP:	6.93530

Raw Materials

123-30-8

302-79-4

Total:90 Page 1 of 3 1 2 3 Next>>

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Specification

The Fenretinide is an organic compound with the formula C₂₆H₃₃NO₂, and is a synthetic retinoid deriverative. It appears as yellow powder. The IUPAC name of this chemical is N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide. With the CAS registry number 65646-68-6, it is also named as 4-hydroxyphenylretinamide. The product categories are Intermediates & Fine Chemicals; Pharmaceuticals; Retinoids; Intracellular receptor. Fenretinide is thought to accumulate preferentially in fatty tissue such as the breast.

Physical properties about this chemical are: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.41; (4)ACD/LogD (pH 7.4): 7.4; (5)ACD/BCF (pH 5.5): 250438.83; (6)ACD/BCF (pH 7.4): 249729.31; (7)ACD/KOC (pH 5.5): 254656.83; (8)ACD/KOC (pH 7.4): 253935.36; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 125.05 cm³; (14)Molar Volume: 361.9 cm³; (15)Surface Tension: 46.1 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 315.2 °C; (18)Enthalpy of Vaporization: 92.29 kJ/mol; (19)Boiling Point: 597.6 °C at 760 mmHg.

Uses: it has been used as effective agent for the chemoprevention and growth modulation of oncogene-induced prostate cancer in the mouse prostate reconstitution model system and may be effective for the chemoprevention of human prostate cancer.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C
(2)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)
(3)InChIKey: AKJHMTWEGVYYSE-UHFFFAOYSA-N

The toxicity data is as follows: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. It may impair fertility, and may cause harm to the unborn child. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides of those, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately and not recommended for interior use on large surface areas. Avoid exposure - obtain special instructions before using it.