4-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid-d4 Phenyl Ester
Basic information
- CAS
1246817-73-1- Standard SMILES
[2H]c1c([2H])c(N2CCN(c3ccc(OCOC)cc3)CC2)c([2H])c([2H])c1NC(=O)Oc1ccccc1- InChIKey
UFJQKFGDGIVFLZ-ULDPCNCHSA-N- Molecular formula
- C25H27N3O4
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.22526333
Names & identifiers
- Preferred name
- 4-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid-d4 Phenyl Ester
- IUPAC
- phenyl N-[2,3,5,6-tetradeuterio-4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate
- English name
- 4-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid-d4 Phenyl Ester
- Molecular formula
- C25H27N3O4
- Molecular weight
- 433.49958
Names & synonyms
1246817-73-14-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid-d4 Phenyl Esterphenyl N-[2,3,5,6-tetradeuterio-4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamateItraconazole-desazaconazole-OMe-phenyl carbamate-d4DTXSID20857992HY-132505SCS-0200638Phenyl [4-{4-[4-(methoxymethoxy)phenyl]piperazin-1-yl}(~2~H_4_)phenyl]carbamateUFJQKFGDGIVFLZ-ULDPCNCHSA-N
Database identifiers
- CAS
1246817-73-1- PubChem CID
- 71750101
- DTXSID
DTXSID20857992
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Melting point
- 178 °C · >178°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly, Heated)
- form
- Solid
- color
- Light Yellow
Chemistry & industry
Applications
UsesIntermediate in the production of labelled Posaconazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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