Basic information
- CAS
26281-69-6- Standard SMILES
CCCCCCOCC(O)COc1ccccc1C(=O)O- InChIKey
YTPJKQPMTSNTGI-UHFFFAOYSA-N- Molecular formula
- C16H24O5
- Average molar mass
- 296.36 g/mol
- Monoisotopic mass
- 296.16237386
Overview
Exiproben is a member of benzoic acids.
Names & identifiers
- Preferred name
- 2-(3-(Hexyloxy)-2-hydroxypropoxy)benzoic acid
- IUPAC
- 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid
- English name
- Exiprobenum
- Molecular formula
- C16H24O5
- Molecular weight
- 296.36
Names & synonyms
Exiproben26281-69-6ExiprobeneExiprobenumDCH 21 FREE ACIDDCH-21 FREE ACIDSID40G6U6DDTXSID408652762-[3-(Hexyloxy)-2-hydroxypropoxy]benzoic acid2-(3-(Hexyloxy)-2-hydroxypropoxy)benzoic acidesiprobeneRefChem:935363
Show more names
o-[3-(Hexyloxy)-2-hydroxypropoxy]benzoic acidBenzoic acid, 2-[3-(hexyloxy)-2-hydroxypropoxy]-
DTXCID50813703Exiproben [INN]2-(3-hexoxy-2-hydroxypropoxy)benzoic acido-(3-(Hexyloxy)-2-hydroxypropoxy)benzoic acidUNII-SID40G6U6DEXIPROBEN [MI]o-(3-(Hexyloxy)-2-hydroxy-propoxy)benzoic acid(+/-)-EXIPROBEN
Database identifiers
- CAS
26281-69-6- PubChem CID
- 18995
- DTXSID
DTXSID40865276- ChEMBL
CHEMBL2106306- ChEBI
CHEBI:135249- UNII
- SID40G6U6D
- Nikkaji
- J20.677F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- FDA UNII
- 40 G6U6D · SID40G6U6D
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Exiproben is a member of benzoic acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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