Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2H-Furo[2,3-h]-1-benzopyran-2-one,4,8-dimethyl-
136401-70-2 structure

2H-Furo[2,3-h]-1-benzopyran-2-one,4,8-dimethyl-

Iupac Name:5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CAS No.:136401-70-2
Molecular Weight:354.424
Molecular Formula:C5H7N3O2 (isomer)
Names and Identifiers
Synonyms

2h-furo(2,3-h)(1)benzopyran-2-one, 4,8-dimethyl- 2h-furo[2,3-h][1]benzopyran-2-one, 4,8-dimethyl- 4',4-dimethylangelicin 4,5'-dimethyl angelicin 4,5'-dimethylangelicin 4,5'-dimethylangelicin plus ultraviolet a radiation [angelicins] 4,8-dimethyl-2h-furo(2,3-h)-1-benzopyran-2-one 4,8-dimethyl-2h-furo[2,3-h]chromen-2-one 4,8-dimethyl-2h-furo[2,3-h]chromen-2-one # 4,8-dimethylfuro[2,3-h]chromen-2-one 4,8-dimethylisopsoralen 5-benzofuranacrylic acid, 4-hydroxy-.beta.,2-dimethyl-, .delta.-lactone 5-benzofuranacrylic acid, 4-hydroxy-beta,2-dimethyl-, delta-lactone 5-Benzofuranacrylicacid, 4-hydroxy-b,2-dimethyl-,d-lactone (6CI,7CI) AC1L1V09 bdbm50113272 brn 0189530 C19405 chebi:82453 CHEMBL50703 DTXSID50193638 LS-70713 NCI60_008652 NSC 627260 nsc627260 nsc-627260 PFFGIQUVLUEURV-UHFFFAOYSA-N SCHEMBL6331868 ZINC1618932

Inchi
InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)
InChkey
YNTUJOCADSTMCL-UHFFFAOYSA-N
Canonical Smiles
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)S3
Properties
Density
1.436
Melting Point
156-160 oC
Boiling Point
442.7°Cat760mmHg
Refractive Index
1.653
Flash Point
139.5°C
HS Code
2934999090
Safety and Handling
Safety

Questionable carcinogen. Mutation data reported. When 4,5'-Dimethyl angelicin (CAS NO.4063-41-6)  is heated to decomposition, it emits acrid smoke and fumes.

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4312883,

Report

IARC Cancer Review: Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 40 ,1986,p. 291.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Computational chemical data
  • Molecular Weight:354.424g/mol
  • Molecular Formula:C5H7N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:354.104
  • Monoisotopic Mass:354.104
  • Complexity:515
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:93.6A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgQQAAAADAzh3gY+hpLIFAio AzV3VACCiCBxIjAI2CA+bNgMJuLEsZuGOCjmxDHI6YeQwOAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:0086-21-50563169
  • Fax:
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:+86-512-55117610
  • Fax:+86-512-55117630
  • Tel:+86-18917911573
  • Fax:+21 54291107
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:0086-21-50563169
  • Fax:
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:+86-512-55117610
  • Fax:+86-512-55117630
  • Tel:+86-18917911573
  • Fax:+21 54291107
 
<