Basic information
- CAS
119-41-5- Standard SMILES
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1- InChIKey
ZVXBAHLOGZCFTP-UHFFFAOYSA-N- Molecular formula
- C19H16O5
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.09977361
Overview
Efloxate is an organic molecular entity.
Names & identifiers
- Preferred name
- Efloxate
- IUPAC
- ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
- English name
- efloxate
- Molecular formula
- C19H16O5
- Molecular weight
- 324.33
Names & synonyms
Efloxate119-41-5EfloxatoEfloxatumethyl 2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)acetateDTXSID3048736NSC-758891CZU6V3902KDTXCID0028662((4-Oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy)acetic acid ethyl esterethyl 2-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetateRefChem:920850
Show more names
EflocorDomucorOxyflavylCorosaminEFLOXATE/EFLOXATEMefloxate USP/EP/BPEfloxate,inhibit,Inhibitor
C01DX13204-321-9AngorlisinCorosaninFlacethyleOxiflavilOxyflavilRecordil
Database identifiers
- CAS
119-41-5- PubChem CID
- 8395
- DTXSID
DTXSID3048736- ChEMBL
CHEMBL1349073- ChEBI
CHEBI:31531- UNII
- CZU6V3902K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Experimental & physicochemical properties
Collision Cross Section
177.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
176.52 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 123 · 123-124°
- Boiling point
- 382.67 °C · 382.67°C (rough estimate)
- Density
- 1.1919 · 1.1919 (rough estimate)
- refractive index
- 1.612 · 1.6120 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 130 mg/mL · DMSO: 130 mg/mL (400.83 mM)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 6 V3902K · CZU6V3902K
- ATC code
- 1 DX13 · C01DX13
- Toxicity
- 50 i.p · LD50 i.p. in rats: 3200 mg/kg (Da Re)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 i.p. in rats: 3200 mg/kg (Da Re)
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
UsesEfloxate (Angorlisin) is a vasodilator used in the research of chronic coronary insufficiency and angina pectoris. Efloxate binds to Staphylococcus aureus sortase A[1].
Suppliers31 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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