Basic information
- CAS
83-95-4- Standard SMILES
COc1ccc2c(OC)c3ccoc3nc2c1OC- InChIKey
SLSIBLKBHNKZTB-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Overview
Skimmianine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound, an oxacycle and an alkaloid antibiotic.
Names & identifiers
- Preferred name
- Skimmianine
- IUPAC
- 4,7,8-trimethoxyfuro[2,3-b]quinoline
- English name
- skimmianine
- Molecular formula
- C14H13NO4
- Molecular weight
- 259.26
Names & synonyms
Skimmianine83-95-4Skimmianin4,7,8-Trimethoxyfuro[2,3-b]quinolineChloroxylonineSkimmiaminebeta-FagarineFuro[2,3-b]quinoline, 4,7,8-trimethoxy-FURO(2,3-b)QUINOLINE, 4,7,8-TRIMETHOXY-4E1KLC380BNSC-94654NSC-217986
Show more names
Nsc94654AI310033AI3-10033AI3 10033NSC 217986Pentaphylline
DTXSID902321164,7,8-Trimethoxyfuro(2,3-b)quinoline4,7,8-trimethoxy-furo(2,3-b)quinolineRefChem:886391DTXCID90154607110-051-1.beta.-FagarineCHEBI:9172
Database identifiers
- CAS
83-95-4- PubChem CID
- 6760
- DTXSID
DTXSID90232116- ChEMBL
CHEMBL21396- ChEBI
CHEBI:9172- UNII
- 4E1KLC380B
- EC Number
- 110-051-1
- Nikkaji
- J4.887I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 178 ° · 178°
- Boiling point
- 402.51 °C · 402.51°C (rough estimate)
- Density
- 1.2165 · 1.2165 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Ethanol: soluble
- form
- A solid
- pka
- 7.18 · 7.18±0.40(Predicted)
- color
- White to off-white
- InChI
- InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
- InChIKey
- SLSIBLKBHNKZTB-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(OC)C=2OC)C(OC)=C2C=COC=12
- FDA UNII
- 4 E1KLC380B · 4E1KLC380B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesSkimmianin is an antimicrobial agent extracted from bark Helietta Apiculata Benth (Rutaceae).
Upstream & downstream products
Upstream raw materials
Suppliers89 total
北京华美互利生物化工010-56205725 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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