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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

Flutazolam

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 Formula	C₁₉H₁₈ClFN₂O₃
Molecular Weight	376.8 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	376.0989983 g/mol
Monoisotopic Mass	376.0989983 g/mol
Topological Polar Surface Area	53 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1