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Chemistry

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Also known as: Morcamilast [inn], 4qzd1v144b, Me3183, Me-3183, 1-[[2-(3,6-diazabicyclo[3.1.1]hept-3-yl)-7-(2-thiazolyl)-4-benzoxazolyl]oxy]-1,1-difluoro-2-methyl-2-propanol, 2-propanol, 1-[[2-(3,6-diazabicyclo[3.1.1]hept-3-yl)-7-(2-thiazolyl)-4-benzoxazolyl]oxy]-1,1-difluoro-2-methyl-
Molecular Formula
C19H20F2N4O3S
Molecular Weight
422.5  g/mol
InChI Key
FJBDQIRRDKSQTK-PHIMTYICSA-N
FDA UNII
4QZD1V144B

Morcamilast
1 2D Structure

Morcamilast

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[[2-[(1R,5S)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-4-yl]oxy]-1,1-difluoro-2-methylpropan-2-ol
2.1.2 InChI
InChI=1S/C19H20F2N4O3S/c1-18(2,26)19(20,21)28-13-4-3-12(16-22-5-6-29-16)15-14(13)24-17(27-15)25-8-10-7-11(9-25)23-10/h3-6,10-11,23,26H,7-9H2,1-2H3/t10-,11+
2.1.3 InChI Key
FJBDQIRRDKSQTK-PHIMTYICSA-N
2.2 Other Identifiers
2.2.1 UNII
4QZD1V144B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Morcamilast [inn]

2. 4qzd1v144b

3. Me3183

4. Me-3183

5. 1-[[2-(3,6-diazabicyclo[3.1.1]hept-3-yl)-7-(2-thiazolyl)-4-benzoxazolyl]oxy]-1,1-difluoro-2-methyl-2-propanol

6. 2-propanol, 1-[[2-(3,6-diazabicyclo[3.1.1]hept-3-yl)-7-(2-thiazolyl)-4-benzoxazolyl]oxy]-1,1-difluoro-2-methyl-

2.4 Create Date
2025-08-26
3 Chemical and Physical Properties
Molecular Weight 422.5 g/mol
Molecular Formula C19H20F2N4O3S
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area112
Heavy Atom Count29
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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