Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
Grundinformationen
- CAS
184177-81-9- Standard-SMILES
O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1- InChIKey
IKRKMYDCUZYKHX-UHFFFAOYSA-N- Summenformel
- C23H23N3O3
- Durchschnittliche Molmasse
- 389,4 g/mol
- Monoisotopische Masse
- 389,1739416
Überblick
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester is a member of piperazines.
Namen und Bezeichner
- Bevorzugter Name
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- IUPAC
- phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
- Englischer Name
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- Summenformel
- C23H23N3O3
- Molmasse
- 389.45
Namen und Synonyme
184177-81-9Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamatephenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamateDTXSID10361710Phenyl N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamatePhenyl N-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)carbamatePhenyl [4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl]carbamateRefChem:861540DTXCID80312759606-021-7MFCD03784249Posaconazole Impurity 67
Weitere Namen anzeigen
Posaconazole SM2Posaconazole Impurity 14Posaconazole Impurity 56Intermediate of Posaconazolepiperazin-1-yl)phenylcarbamatePhenyl (4-(4-(4-hydroxyphenyl)Posaconazole Hydroxy Carbamate ImpurityPosaconazole Diastereoisomer 3 (S,R,R,R)4-(4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL)PHENYL CARBAMATE
phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamatephenyl 4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenylcarbaMateCHEBI:123196HMS2495J06SMR000073777phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamateCarbaMic acid, [4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-, phenyl ester (9CI)IKRKMYDCUZYKHX-UHFFFAOYSA-N
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 65 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 501
Physikochemische Eigenschaften
- Siedepunkt
- 603.9 · 603.9±55.0 °C(Predicted)
- Dichte
- 1.296 · 1.296
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.18 · 12.18±0.30(Predicted)
- InChI
- InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
- InChIKey
- IKRKMYDCUZYKHX-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1)(=O)NC1=CC=C(N2CCN(C3=CC=C(O)C=C3)CC2)C=C1
- CAS Datenbank
- 184177 · 184177-81-9
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H400 (90.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Acute 1 (90.9%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H410
Chemie und Industrie
Anwendungen
BeschreibungPhenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate is a piperazine derivative that inhibits the growth of gram-positive bacteria.Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate is a carbamic acid that binds to the 50S ribosomal subunit of bacteria, preventing transcription and replication. Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)) carbamate is a carbamic acid that binds to the 50S ribosomal subunit of bacteria, preventing transcription and replication. Human activity on human erythrocytes using the membrane clamp technique is frequent. This active form is metabolised by a number of metabolic transformations including hydrolysis by esterases or glucuronidases, oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or binding to glucuronic acid.
VerwendenPHENYL {4-[4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL]PHENYL}CARBAMATE is a carboxylic acid ester organic substance and can be used as a pharmaceutical intermediate.
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