Basic information
- CAS
96337-50-7- Standard SMILES
CN1c2ccccc2C(c2ccccc2F)=NCC1CNC(=O)c1ccsc1.Cl- InChIKey
JFZSUQQSHDYRGA-UHFFFAOYSA-N- Molecular formula
- C22H21ClFN3OS
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1077893
Names & identifiers
- Preferred name
- Tifluadom Hydrochloride
- IUPAC
- N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide;hydrochloride
- English name
- Tifluadom Hydrochloride
- Molecular formula
- C22H21ClFN3OS
- Molecular weight
- 429.9380432
Names & synonyms
Tifluadom Hydrochloride96337-50-7N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide;hydrochlorideKC 5103RQB9JWT8M3(+/-)-Tifluadom h ydrochlorideDTXSID80858485FT28273N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]-3-thiophenecarboxamide Hydrochloride3-THIOPHENECARBOXAMIDE, N-((5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-, HYDROCHLORIDE (1:13-THIOPHENECARBOXAMIDE, N-((5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-, MONOHYDROCHLORIDEN-{[5-(2-Fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}thiophene-3-carboxamide--hydrogen chloride (1/1)
Show more names
dl-TifluadoM HydrochlorideN-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
Properties
Computed structural properties
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- FDA UNII
- 9 JWT8M3 · RQB9JWT8M3
Chemistry & industry
Applications
UsesTifluadom, a κ-opioid agonist and cholecystokinin-A (CCK-A) receptor antagonist, was utilized as a model to prepare a series of 2-(aminomethyl)- and 3-(aminomethyl)-1,4-benzodiazepines.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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