Basic information
- CAS
80273-79-6- Standard SMILES
OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1- InChIKey
JSBWGXQXCRYYTG-PZJWPPBQSA-N- Molecular formula
- C22H24F4N2O
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.18247604
Overview
RN given refers to (trans-(+-)-isomer); RN for cpd without isomeric designation not available 3/88
Names & identifiers
- Preferred name
- Tefludazine
- IUPAC
- 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
- English name
- Tefludazine
- Molecular formula
- C22H24F4N2O
- Molecular weight
- 408.437
Names & synonyms
TefludazineTefludazinaTefludazinum80273-79-62XUS19W8FELU-18-012DTXSID20878607RefChem:187708DTXCID5010166514-(3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl)-1-piperazineethanolTefludazine [INN]80680-06-4
Show more names
CHEMBL95636trans-4-[3-(p-fluorophenyl)-6-(trifluoromethyl)-1-indanyl]-1-piperazineethanoltrans-4-(3-(p-Fluorophenyl)-6-(trifluoromethyl)-1-indanyl)-1-piperazineethanolTefludazinum [Latin]Tefludazina [Spanish]UNII-2XUS19W8FELu 18-0122-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
Database identifiers
- CAS
80273-79-6、80680-06-4- PubChem CID
- 71240
- DTXSID
DTXSID20878607- ChEMBL
CHEMBL95636- UNII
- 2XUS19W8FE
- Nikkaji
- J317.014D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Experimental & physicochemical properties
LogP4.39
Physicochemical properties
- FDA UNII
- 2 XUS19W8FE · 2XUS19W8FE
Chemistry & industry
Suppliers2 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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