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2D Structure
Also known as: 80499-32-7, 80449-32-7, 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene, Trypsin inhibitor (human urine urinastatin protein moiety), 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene, 2,4-dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-
Molecular Formula
C13H16O3
Molecular Weight
220.26  g/mol
InChI Key
ODVKSTFPQDVPJZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene
2.1.2 InChI
InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
2.1.3 InChI Key
ODVKSTFPQDVPJZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2(CC=C1)COC(OC2)C3=CC=CO3
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Acid-stable Protease Inhibitor

2. Miraclid

3. Mr 20

4. Mr 20 (magnetic Powder) Of Urinastatin

5. Mr-20 (magnetic Powder)

6. Trypsin Inhibitor Mr-20

7. Ulinastatin

8. Urinary Trypsin Inhibitor

9. Urinary Trypsin Inhibitor (68)

10. Urinary Trypsin Inhibitor-like Inhibitor (43)

11. Urinastatin

12. Uti(68)

13. Uti68

2.2.2 Depositor-Supplied Synonyms

1. 80499-32-7

2. 80449-32-7

3. 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene

4. Trypsin Inhibitor (human Urine Urinastatin Protein Moiety)

5. 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene

6. 2,4-dioxaspiro(5.5)undec-8-ene, 3-(2-furanyl)-

7. Trypsin Inhibitor Mr-20

8. Mr-20 (magnetic Powder)

9. Uti(68)

10. Acid-stable Protease Inhibitor

11. Urinary Trypsin Inhibitor (68)

12. Mr 20

13. Unii-or3s9if86u

14. Uristatin

15. Mingin

16. Urinary Trypsin Inhibitor-like Inhibitor (43)

17. Trypsin Inhibitor Uti

18. Ulinastatin [inn:jan]

19. Trypsin Inhibitor, Mingin

20. Trypsin Inhibitor, Bikunin

21. Urinary Trypsin Inhibitor 1

22. 3-(2-furanyl)-2,4-dioxaspiro(5.5)undec-8-ene

23. Dtxsid801001247

24. Bcp08067

25. Akos025401879

26. Ac-26827

27. Hy-21646

28. D77201

29. 9-(2-furyl)-8,10-dioxaspiro[5.5]undec-3-ene

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 220.26 g/mol
Molecular Formula C13H16O3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass220.109944368 g/mol
Monoisotopic Mass220.109944368 g/mol
Topological Polar Surface Area31.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Trypsin Inhibitors

Serine proteinase inhibitors which inhibit trypsin. They may be endogenous or exogenous compounds. (See all compounds classified as Trypsin Inhibitors.)