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2D Structure
Also known as: 27060-91-9, Coreminal, 5g2k7o5d8s, 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-3,5-dihydro-2h-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one, 10-chloro-11b-(o-fluorophenyl)-2,3,7,11b-tetrahydro-7-(2-hydroxyethyl)oxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one, Flutazolamum
Molecular Formula
C19H18ClFN2O3
Molecular Weight
376.8  g/mol
InChI Key
WMFSSTNVXWNLKI-UHFFFAOYSA-N
FDA UNII
5G2K7O5D8S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-3,5-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
2.1.2 InChI
InChI=1S/C19H18ClFN2O3/c20-13-5-6-17-15(11-13)19(14-3-1-2-4-16(14)21)22(8-10-26-19)12-18(25)23(17)7-9-24/h1-6,11,24H,7-10,12H2
2.1.3 InChI Key
WMFSSTNVXWNLKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)CCO)C4=CC=CC=C4F
2.2 Other Identifiers
2.2.1 UNII
5G2K7O5D8S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 10-chloro-11b-(2'-fluorophenyl)-2,3,5,6,7,11b-hexahydro-7-(2''-hydroxyethyl)benzo(6,7)-1,4-diazepino(5,4-b)oxazol-6-one

2. Ms 4101

2.3.2 Depositor-Supplied Synonyms

1. 27060-91-9

2. Coreminal

3. 5g2k7o5d8s

4. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-3,5-dihydro-2h-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

5. 10-chloro-11b-(o-fluorophenyl)-2,3,7,11b-tetrahydro-7-(2-hydroxyethyl)oxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one

6. Flutazolamum

7. Flutazolam [inn:jan]

8. Flutazolamum [inn-latin]

9. Ms-4101

10. Brn 1092501

11. Unii-5g2k7o5d8s

12. Coreminal (tn)

13. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,5,11b-tetrahydrooxazolo(3,2-d) [1,4]benzodiazepin-6(7h)-one

14. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,5,11b-tetrahydrooxazolo(3,2-d)[1,4]benzodiazepin-6(7h)-one

15. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7h)-one

16. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,5,11b-tetrahydrooxazolo[3,2-d][1,4]benzodiazepin-6(7h)-one

17. Flutazolam [mi]

18. Flutazolam (jan/inn)

19. Flutazolam [inn]

20. Flutazolam [jan]

21. Flutazolam [mart.]

22. Flutazolam [who-dd]

23. 10-chloro-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro-7-(2-hydroxyethyl)oxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one

24. Schembl546958

25. Chembl1697836

26. Dtxsid6023072

27. Chebi:31628

28. Oxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one, 10-chloro-11b-(o-fluorophenyl)-2,3,7,11b-tetrahydro-7-(2-hydroxyethyl)-

29. Hy-111481

30. Cs-0042166

31. D01286

32. Q5462935

33. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,5,11b-tetrahydrooxazolo(3,2-d)[ 1,4]benzodiazepin-6(7h)-one

34. 10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5h)-one

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 376.8 g/mol
Molecular Formula C19H18ClFN2O3
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.0989983 g/mol
Monoisotopic Mass376.0989983 g/mol
Topological Polar Surface Area53 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1