Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
基本情報
- CAS
184177-81-9- 標準SMILES
O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1- InChIKey
IKRKMYDCUZYKHX-UHFFFAOYSA-N- 分子式
- C23H23N3O3
- 平均分子量
- 389.4 g/mol
- 単同位体質量
- 389.1739416
概要
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester is a member of piperazines.
名称と識別子
- 優先名称
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- IUPAC
- phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
- 英語名
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- 分子式
- C23H23N3O3
- 分子量
- 389.45
名称と別名
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
名称をさらに表示
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
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 65 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 501
物理化学的性質
- 沸点
- 603.9 · 603.9±55.0 °C(Predicted)
- 比重(密度)
- 1.296 · 1.296
- 貯蔵温度
- Sealed in dry,Room Temperature
- 酸解離定数(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 データベース
- 184177 · 184177-81-9
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAquatic Acute 1 (90.9%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H410
化学と産業
応用分野
説明Phenyl (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.
使用PHENYL {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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