Basic information
- CAS
110406-33-2- Standard SMILES
Cl.O=c1c2ccccc2c(Cc2ccc(F)cc2)nn1C1CCCN(CCc2ccccc2)CC1- InChIKey
KBNISKYDAJMVNI-UHFFFAOYSA-N- Molecular formula
- C29H31ClFN3O
- Average molar mass
- 492 g/mol
- Monoisotopic mass
- 491.2139685
Names & identifiers
- Preferred name
- Flezelastine hydrochloride
- IUPAC
- 4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride
- English name
- 1(2H)-Phthalazinone,4-[(4-fluorophenyl)methyl]-2-[hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl]-,hydrochloride (1:1)
- Molecular formula
- C29H30FN3O.ClH
- Molecular weight
- 492.04
Names & synonyms
110406-33-27DAMTNUI2AFlezelastine hydrochlorideD-180244-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylethyl)-1H-azepin-4-yl)-1-2H-phthalazinone hydrochlorideRefChem:200970D180244-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-, monohydrochlorideUNII-7DAMTNUI2AUP3YXL6A7P38ERW83MJS
Show more names
D18024,D-18024D18024, 10 mM in DMSO1(2H)-Phthalazinone,4-[(4-fluorophenyl)methyl]-2-[hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl]-,hydrochloride (1:1)
Flezelastine monohydrochlorideSCHEMBL219748orb1709937Flezelastine hydrochloride, (+)DTXSID30911635Flezelastine hydrochloride, (-)-HY-U00210AKOS040732912
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 7 DAMTNUI2A · 7DAMTNUI2A
Chemistry & industry
Applications
UsesD18024 is a phthalazinonderivat antiallergic and antihistaminic activity.
Suppliers7 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
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Compound notes
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