Basic information
- CAS
53370-90-4- Standard SMILES
CCCCCCOc1ccccc1C(N)=O- InChIKey
CKSJXOVLXUMMFF-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Overview
Exalamide is an benzamide that is salicylamide in which the phenolic hydroxy group has been converted into the corresponding hexyl ether. It has been used as a topical antifungal agent. It has a role as an antifungal agent. It is a member of benzamides and an aromatic ether. It is functionally related to a salicylamide.
Names & identifiers
- Preferred name
- Exalamide
- IUPAC
- 2-hexoxybenzamide
- English name
- Exalamide
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
exalamide53370-90-42-(Hexyloxy)benzamide2-hexoxybenzamideHyperan2-n-HexyloxybenzamideExalamidao-(Hexyloxy)benzamideo-Hexyloxybenzamide2-HexyloxybenzamideExalamidumDTXSID9045899
Show more names
HBAh.p.216o-hexyloxy-benzamidExalamide USP/EP/BP
7JEC65JCG2NSC-758449ortho-hexyloxybenzamideDTXCID7025899CHEBI:31585RefChem:921404258-504-3Benzamide, 2-(hexyloxy)-
Database identifiers
- CAS
53370-90-4- PubChem CID
- 3316
- DTXSID
DTXSID9045899- ChEMBL
CHEMBL1405973- ChEBI
CHEBI:31585- UNII
- 7JEC65JCG2
- EC Number
- 258-504-3
- Nikkaji
- J3.195J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
Collision Cross Section
154.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
160.19 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 72 · 72-74°C
- Boiling point
- 362.36 °C · 362.36°C (rough estimate)
- Density
- 1.0451 · 1.0451 (rough estimate)
- refractive index
- 1.5175 · 1.5175 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.62 · 15.62±0.50(Predicted)
- color
- White
- FDA UNII
- 7 JEC65JCG2 · 7JEC65JCG2
Chemistry & industry
Applications
UsesExalamide is used as an antifungal (topical). Exalamide is a derivative of salicylamide.
Upstream & downstream products
Upstream raw materials
Suppliers28 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
韶关市启程生物科技有限公司
Related reactions
1 records
Compound notes
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