Basic information
- CAS
91431-42-4- Standard SMILES
COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O- InChIKey
IFWMVQUGSGWCRP-UHFFFAOYSA-N- Molecular formula
- C16H15ClO6
- Average molar mass
- 338.74 g/mol
- Monoisotopic mass
- 338.0557159
Overview
Lonapalene is a member of naphthalenes and an organochlorine compound.
Names & identifiers
- Preferred name
- Lonapalene
- IUPAC
- (4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
- English name
- Methotrexate
- Molecular formula
- C16H15ClO6
- Molecular weight
- 338.74
Names & synonyms
LONAPALENE91431-42-4LonapalenoLonapalenumRS-431796-Chloro-2,3-dimethoxy-1,4-naphthalenediol diacetateWIF31Q54NJRS 43179DTXSID002385636-chloro-2,3-dimethoxynaphthalene-1,4-diol diacetateRefChem:153992DTXCID50161054
Show more names
RS-43197LopaleneLonapalene (RS4317)RS4317 (Lonapalene)1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy-, 1,4-diacetate
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetateRS4317Lonapalene (USAN)Lonapalene [USAN]6-chloro-2,3-dimethoxynaphthalene-1,4-diyl diacetateCHEMBL36648Lonapalenum [Latin]Lonapaleno [Spanish]
Database identifiers
- CAS
91431-42-4- PubChem CID
- 56237
- DTXSID
DTXSID00238563- ChEMBL
CHEMBL36648- ChEBI
CHEBI:177429- UNII
- WIF31Q54NJ
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
LogP3.26
Physicochemical properties
- Melting point
- 93 · 93-94° (Jones); mp 87.5-89.5° (Perri, Moore)
- Boiling point
- 424.9 · 424.9±45.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to light yellow
- FDA UNII
- 31 Q54NJ · WIF31Q54NJ
Chemistry & industry
Applications
UsesAntipsoriatic.
Upstream & downstream products
Upstream raw materials
Suppliers15 total
Aladdin Scientific[email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海禹犇生物科技有限公司021-61350663 15502154572 · [email protected]
Related reactions
5 records
Compound notes
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