Ethylall-trans-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate , 10mMinDMSO , 54350-48-0

Synonym(s):
Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate;Etretinate

CAS NO.：54350-48-0

Empirical Formula: C23H30O3

Molecular Weight: 354.48

MDL number: MFCD00866624

EINECS: 259-119-3

PRODUCT Properties

• Melting point: 104-1050C
• Boiling point: 447.69°C (rough estimate)
• Density: 1.0304 (rough estimate)
• refractive index: 1.5480 (estimate)
• storage temp.: Sealed in dry,2-8°C
• solubility: Chloroform (Slightly), DMSO (Slightly, Sonicated), Ethyl Acetate (Slightly)
• form: Solid
• color: Light Yellow to Yellow
• Stability: Light Sensitive
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+
• InChIKey: HQMNCQVAMBCHCO-DJRRULDNSA-N
• SMILES: O(C)c1c(c(c(c(c1)C)\C=C\C(=C\C=C\C(=C\C(=O)OCC)\C)\C)C)C
• CAS DataBase Reference: 54350-48-0(CAS DataBase Reference)
• EPA Substance Registry System: Etretinate (54350-48-0)

Description and Uses

Aromatic analog of Retinoic Acid. Immunomodulator. Antipsoriatic.

Safety

• Symbol(GHS): GHS07,GHS08,GHS09
• Signal word: Danger
• Hazard statements: H315-H335-H360D-H410
• Precautionary statements: P201-P202-P261-P273-P302+P352-P308+P313
• target organs: Respiratory system
• WGK Germany: WGK 3
• HS Code: 2918992090
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Aquatic Acute 1; Aquatic Chronic 1; Repr. 1A; Skin Irrit. 2; STOT SE 3
• Hazardous Substances Data: 54350-48-0(Hazardous Substances Data)
• Toxicity: LD50 in mice (1 day): >4000 mg/kg i.p. (Bollag); LD50 (20 day) in mice, rats (mg/kg): 1176, >2000 i.p.; >2000, >4000 orally (Kamm)