Amotosalen hydrochlorideProduct ingredient for Amotosalen
- Name
- Amotosalen hydrochloride
- Drug Entry
- Amotosalen
- Accession Number
- DBSALT003353
- Structure
Structure for Amotosalen hydrochloride (DBSALT003353)
- Synonyms
- Amotosalen HCl / Amotosalen hydrochloride
- External IDs
- S-59
- UNII
- 67B255SI5F
- CAS Number
- 161262-45-9
- Weight
- Average: 337.8
Monoisotopic: 337.1080858 - Chemical Formula
- C17H20ClNO4
- InChI Key
- MHLAMQBABOJZQW-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H19NO4.ClH/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18;/h6-7H,4-5,8,18H2,1-3H3;1H
- IUPAC Name
- 3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one hydrochloride
- SMILES
- Cl.CC1=C(COCCN)C2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
- External Links
- ChemSpider
- 140325
- ChEMBL
- CHEMBL2104450
- Predicted Properties
Property Value Source logP 2.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.69 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 84.38 m3·mol-1 Chemaxon Polarizability 33.42 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon