依曲替酯

Description

Etretinate · CAS 54350-48-0 · C23H30O3. UNII 65M2UDR9AG. Melting Point: 104-105; Melting Point: 104-105 °C; Vapor Pressure: 2.2X10-7 mm Hg @ 25 °C /Estimated/.

Identification

CAS Registry Number	54350-48-0
PubChem CID	5282375
Molecular formula	C23H30O3
IUPAC name	ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
UNII (FDA)	65M2UDR9AG

Computed Descriptors

Molecular Weight	354.5
XLogP3	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	354.21949481
Monoisotopic Mass	354.21949481
Topological Polar Surface Area	35.5
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Melting Point	104-105
Melting Point	104-105 °C
Vapor Pressure	2.2X10-7 mm Hg @ 25 °C /Estimated/
LogP	6.5

Physical description & handling notes

• Crystals
• log Kow = 8.43 /Estimated/
• Henry's Law constant: 4.0X10-5 atm-cu m/mol @ 25 °C /Estimated/
• Hydroxyl radical reaction rate constant: 2.6X10-10 cu cm/molecule-sec @ 25 °C /Estimated/

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (40%), H335 (60%), H341 (20%), H360 (80%), H400 (100%), H410 (100%)

Documented Uses

• Preparation: W. Bollag et al, DE 2414619; US 4105681 and US 4215215 (1974, 1978, 1980 all to Hoffmann-La Roche)
• Withdrawn from the US market in March 1998 and the Canadian market in January 1996.
• For the treatment of severe psoriasis in adults.
• Etretinate is indicated for the treatment of severe recalcitrant psoriasis, including the erythrodermic and generalized pustular types, in patients who are unresponsive to or intolerant of the standard therapies. /Included in US product labeling/
• Etretinate is used for the treatment of severe, intractable oral lichen planus. /NOT included in use product labeling/
• Etretinate is also used in correcting severe intractable forms of keratinization disorders, such as: dermatoses, ichthyosiform; erythroderma, congenital ichthyosiform; ichthyosis, lamellar, and other ichthyoses; keratosis follicularis (Darier's disease); keratosis palmaris et plantaris; pityriasis rubra pilaris (PRP); pustulosis, palmoplanter. /NOT included in US product labeling/

Synonyms

etretinate; 54350-48-0; Tegison; Ethyl etrinoate; Etretinato; Tigason; Ro 10-9359; Etretinatum; ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate; DTXSID0023036; Ro-10-9359; Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate; Ro-109359; 65M2UDR9AG; NSC-297936; CHEBI:4913

Frequently Asked Questions

What are the CAS number and molecular formula of Etretinate?

CAS 54350-48-0; molecular formula C23H30O3; molecular weight — g/mol.

What other names is Etretinate known by?

etretinate, 54350-48-0, Tegison, Ethyl etrinoate, Etretinato, Tigason.

Is Etretinate classified as hazardous?

Hazard statements reported: H315, H319, H335, H341, H360.

What are the key physical properties of Etretinate?

Melting Point: 104-105; Melting Point: 104-105 °C; Vapor Pressure: 2.2X10-7 mm Hg @ 25 °C /Estimated/; LogP: 6.5.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.