LD 490
Basic information
- CAS
58336-35-9- Standard SMILES
O=c1ccc2cc3c4c(c2o1)CCCN4CCC3- InChIKey
MZSOXGPKUOAXNY-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- LD 490
- IUPAC
- 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
- English name
- 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
Coumarin 6H58336-35-9LD 490Exciton LD 490CCRIS 49641H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-EINECS 261-213-4BRN 4908090DTXSID10692451H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizin-11-one, 2,3,6,7-tetrahydro-2,3,6,7-Tetrahydro-1H,5H,11H-(1)benzopyrano(6,7,8-ij)-quinolizin-11-one2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
Show more names
c6hld490excitonld490COUMARIN 540H6H Coumarin 6H >Ethambutol Impurity 8COUMARIN 6H, DYE CONTENT 99%6,7,8-(4-Azaheptane-1,4,7-triyl)-2H-1-benzopyran-2-one
2,3,6,7-Tetrahydro-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-oneRefChem:798677DTXCID00423732,3,5,61 H,4HTetrahydroquinolizinocoumarin1H,5H,11H(1)Benzopyrano(6,7,8ij)quinolizin11one, 2,3,6,7tetrahydro2,3,6,7Tetrahydro1H,5H,11H(1)benzopyrano(6,7,8ij)quinolizin11one261-213-42,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
Database identifiers
- CAS
58336-35-9- PubChem CID
- 94022
- DTXSID
DTXSID1069245- ChEMBL
CHEMBL1345017- UNII
- 724GLF8NMA
- EC Number
- 261-213-4
- Nikkaji
- J296.922J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionYellow solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 128 to · 128.0 to 132.0 °C
- Boiling point
- 486.3 · 486.3±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 5.63 · 5.63±0.20(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- λmax
- 403 nm · 403nm(H2O)(lit.)
- EPA Substance Registry System
- 1 H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, · 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro- (58336-35-9)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Coumarin.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DJ3310000
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCoumarins are used as laser dyes. [Ullmann: Laser Dyes]
General Manufacturing Information1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-: INACTIVE
Applications
DescriptionLD 490 is a highly-effective biopharmaceutical compound used in the study of leukemia and lymphoma. Acting as a targeted therapy, this medication works by inhibiting specific pathways responsible for cancer cell growth and division. By blocking these pathways, LD 490 effectively slows down tumor progression and improves patient outcomes.
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