Fabesetron Hydrochloride
Basic information
- CAS
129299-90-7- Standard SMILES
Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O.Cl- InChIKey
POKFYJWUPWZYQV-BTQNPOSSSA-N- Molecular formula
- C18H20ClN3O
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.12949
Names & identifiers
- Preferred name
- Fabesetron Hydrochloride
- IUPAC
- (7R)-10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
- English name
- Fk 1052
- Molecular formula
- C18H20ClN3O
- Molecular weight
- 329.8239
Names & synonyms
Fabesetron hydrochloride129299-90-7FK-1052DTXSID7048168UNII-DIU098C1O7DIU098C1O7Fabesetron hydrochloride (JAN)DTXCID7028142FABESETRON MONOHYDROCHLORIDEFABESETRON HYDROCHLORIDE [JAN]PYRIDO(1,2-A)INDOL-6(7H)-ONE, 8,9-DIHYDRO-10-METHYL-7-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-, MONOHYDROCHLORIDE, (7R)-PYRIDO(1,2-A)INDOL-6(7H)-ONE, 8,9-DIHYDRO-10-METHYL-7-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-, MONOHYDROCHLORIDE, (R)-
Show more names
D01838FK-1052 HCl
(R)-8,9-Dihydro-10-methyl-7-((5-methyl-4-imidazolyl)methyl)pyrido(1,2-a)indol-6(7H)-one monohydrochloride(R)-8,9-Dihydro-10-methyl-7-[(5-methyl-4-imidazolyl)methyl]pyrido[1,2-a]indol-6(7H)-one monohydrochlorideRefChem:139864()-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochlorideFabesetron (hydrochloride)orb1738435SCHEMBL2232218CHEMBL3185034
Database identifiers
- CAS
129299-90-7- PubChem CID
- 180494
- DTXSID
DTXSID7048168- ChEMBL
CHEMBL3185034- UNII
- DIU098C1O7
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- FDA UNII
- 98 C1O7 · DIU098C1O7
Chemistry & industry
Applications
UsesFabesetron (FK1052) hydrochloride is an orally active 5-HT3 receptor antagonist with 5-HT4 receptor antagonistic activity. Fabesetron hydrochloride can be used in the study for both acute and delayed emesis induced by cancer chemotherapy[1][2].
Related reactions
0 records
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Compound notes
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