Basic information
- CAS
19825-63-9- Standard SMILES
CC(=O)Oc1cc(C)cc2c1C1=C(CCC(C)C1)C(C)(C)O2- InChIKey
AADNQNOXNWEYHS-UHFFFAOYSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Overview
Pirnabine has been used in trials studying the treatment of Chronic Idiopathic Constipation.
Names & identifiers
- Preferred name
- Pirnabine
- IUPAC
- (3,6,6,9-tetramethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) acetate
- English name
- Pirnabine
- Molecular formula
- C19H24O3
- Molecular weight
- 300.39
Names & synonyms
PIRNABINEPirnabinGuanlibPirnabine [USAN]19825-63-9Pirnabin [INN]SP-304UNII-S3FHL03F60pirnabinaS3FHL03F60Pirnabine (USAN)SP 304
Show more names
(±)-Pirnabine6H-Dibenzo[b,d]pyran-1-ol, 7,8,9,10-tetrahydro-3,6,6,9-tetramethyl-, 1-acetate
(+-)-7,8,9,10-Tetrahydro-3,6,6,9-tetramethyl-6H-dibenzo(b,d)pyran-1-ol acetate6H-Dibenzo(b,d)pyran-1-ol, 7,8,9,10-tetrahydro-3,6,6,9-tetramethyl-, acetate, (+-)-6H-DIBENZO(B,D)PYRAN-1-OL, 7,8,9,10-TETRAHYDRO-3,6,6,9-TETRAMETHYL-, 1-ACETATE6H-DIBENZO(B,D)PYRAN-1-OL, 7,8,9,10-TETRAHYDRO-3,6,6,9-TETRAMETHYL-, ACETATEpirnabinum3,6,6,9-tetramethyl-6H,7H,8H,9H,10H-cyclohexa(c)chromen-1-yl acetate3,6,6,9-TETRAMETHYL-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL ACETATERefChem:174553
Database identifiers
- CAS
19825-63-9- PubChem CID
- 50137
- DTXSID
DTXSID00867559- ChEMBL
CHEMBL2105240- UNII
- S3FHL03F60
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 3 FHL03F60 · S3FHL03F60
Chemistry & industry
Applications
UsesAntiglaucoma agent.
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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