Zuretinol Acetate
Basic information
- CAS
127-47-9- Standard SMILES
CC(=O)OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C- InChIKey
QGNJRVVDBSJHIZ-AQDFTDIISA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.24023026
Overview
Zuretinol acetate has been used in trials studying the treatment of Impaired Dark Adaptation, RP (Retinitis Pigmentosa), Retinitis Pigmentosa (RP), and LCA (Leber Congenital Amaurosis).
Names & identifiers
- Preferred name
- Zuretinol Acetate
- IUPAC
- [(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
- English name
- 9-cis-Retinol acetate
- Molecular formula
- C22H32O2
- Molecular weight
- 328.49
Names & synonyms
Zuretinol acetate29584-22-39-cis-retinyl acetate9-cis-Vitamin A acetate9-cis-Vitamin A1 acetate9-cis-Retinal acetateQLT091001QLT-0910012K3YP54BYUacetate de zuretinolacetato de zuretinolzuretinoli acetas
Show more names
Vitamin A Impurity 31Retinol, acetate, 9-cis-
RefChem:1962839-cis-Retinol AcetateZuretinol acetate [INN]UNII-2K3YP54BYU[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate9-cis Retinol Acetatetrans-Retinyl acetateMyvak (VAN)
Database identifiers
- CAS
127-47-9、29584-22-3- PubChem CID
- 10245972
- ChEMBL
CHEMBL4297637- UNII
- 2K3YP54BYU
- Nikkaji
- J701.496A
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 595
Experimental & physicochemical properties
Melting Point57 - 58 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 440.5 · 440.5±14.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate
- form
- Oil
- color
- Light Yellow to Yellow Thick
- Stability
- Light sensitive, Temperature sensitive
- FDA UNII
- 2 K3YP54BYU · 2K3YP54BYU
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
Cellular LocationsExtracellular
Applications
UsesRetinal derivative for treatment of visual disorders. Vitamin A derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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