Prodolic Acid
Basic information
- CAS
36505-82-5- Standard SMILES
CCCC1(CC(=O)O)OCCc2c1[nH]c1ccccc21- InChIKey
IZGMROSLQHXRDZ-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Overview
structure
Names & identifiers
- Preferred name
- Prodolic Acid
- IUPAC
- 2-(1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
- English name
- Prodolic
- Molecular formula
- C16H19NO3
- Molecular weight
- 0
Names & synonyms
PRODOLIC ACID36505-82-5Acido prodolicoAcide prodoliqueAY-23,289Acidum prodolicumAY-23289U8EX2DRD73NSC-2991331,3,4,9-Tetrahydro-1-propylpyrano(3,4-b)indole-1-acetic acidPyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1-propyl-DTXSID70865820
Show more names
1,3,4,9-tetrahydro-1-propyl-pyrano[3,4-b]indole-1-acetic acid
1,3,4,9-Tetrahydro-1-propylpyrano[3,4-b]indole-1-acetic acidRefChem:930012DTXCID608141852-(1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acidNSC299133(1-Propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acidProdolicProdolic acid [USAN:INN]
Database identifiers
- CAS
36505-82-5- PubChem CID
- 37462
- DTXSID
DTXSID70865820- ChEMBL
CHEMBL1968386- UNII
- U8EX2DRD73
- Nikkaji
- J20.019K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- FDA UNII
- 8 EX2DRD73 · U8EX2DRD73
Chemistry & industry
Applications
UsesAnti-inflammatory.
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Related reactions
0 records
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Compound notes
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