Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol,(6aS,11aS)-
74050-98-9 structure

6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol,(6aS,11aS)-

Iupac Name:3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
CAS No.:74050-98-9
Molecular Weight:395.434
Molecular Formula:C30H31FN3NAO4 (isomer)
Names and Identifiers
Synonyms

(-)-glycinol (6alphas,11alphas)-3,6alpha,9-trihydroxypterocarpan (6as,11as)-3,6a,9-trihydroxypterocarpan (6as,11as)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol (6as,11as)-6a,11a-dihydro-6h-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol (6as,11as)-6h-[1]benzofuro[3,2-c]chromene-3,6a,9(11ah)-triol (6as-cis)-6h-benzofuro(3,2-c)(1)benzopyran-3,6a,9(11ah)-triol 3,6,9-trihydroxypterocarpan 3,6a,9-trihydroxypterocarpan 6h-benzofuro(3,2-c)(1)benzopyran-3,6a,9(11ah)-triol, (6as-cis)- 6h-benzofuro[3,2-c][1]benzopyran-3,6a,9(11ah)-triol 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol,(6aS-cis)- AC1L2VYW AC1Q70TV C01263 CHEBI:15649 Glycinol glycinol (pterocarpan) LMPK12070128 Q0O9HGR94O SCHEMBL4549087 unii-q0o9hgr94o

Inchi
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChkey
FPCCSQOGAWCVBH-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
Properties
Density
1.015
Melting Point
227-235℃
Boiling Point
°Cat760mmHg
Refractive Index
1.592
Flash Point
175.6°C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:395.434g/mol
  • Molecular Formula:C30H31FN3NAO4
  • Compound Is Canonicalized:True
  • Exact Mass:395.165
  • Monoisotopic Mass:395.165
  • Complexity:627
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:69.7A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACxQAAAHwAQAAAADQzBmAwxwIPAAACI AqVSUACCAAAlAgAIiAEIZMiIYDrA1ZGUIYholyLIyecciMCOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-0-17166540883
  • Fax:86-0-17166540883
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-0-17166540883
  • Fax:86-0-17166540883
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
<