Entsufon
Basic information
- CAS
55837-16-6- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCS(=O)(=O)O)cc1- InChIKey
QKTHVODRSZLVBH-UHFFFAOYSA-N- Molecular formula
- C20H34O6S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.20760997
Overview
Entsufon is a small molecule drug. Entsufon has a monoisotopic molecular weight of 402.21 Da.
Names & identifiers
- Preferred name
- Entsufon
- IUPAC
- 2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
- English name
- SODIUM OCTOXYNOL-2 ETHANE SULFONATE
- Molecular formula
- C20H34O6S
- Molecular weight
- 402.55
Names & synonyms
ENTSUFON55837-16-6Entsufon [INN]2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid4HI65O1DUA2-(2-(2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)ethoxy)ethoxy)ethane-1-sulfonic acid2-(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethoxy)ethane-1-sulfonic acidUNII-4HI65O1DUAENTSUFON [II]ENTSUFON [VANDF]ENTSUFON [WHO-DD]CHEMBL2110927
Show more names
2-[2-[2-[p-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonicaci
SCHEMBL29382695DTXSID70204432Q27259598ETHANESULFONIC ACID, 2-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHOXY)-
Database identifiers
- CAS
55837-16-6- PubChem CID
- 18018
- DTXSID
DTXSID70204432- ChEMBL
CHEMBL2110927- UNII
- 4HI65O1DUA
- Nikkaji
- J11.038H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Cosmetics Ingredients Functions
- CLEANSINGSURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
- FDA UNII
- 4 HI65O1DUA · 4HI65O1DUA
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…