기본 정보
- CAS
184177-81-9- 표준 SMILES
O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1- InChIKey
IKRKMYDCUZYKHX-UHFFFAOYSA-N- 분자식
- C23H23N3O3
- 평균 분자량
- 389.4 g/mol
- 단동위원소 질량
- 389.1739416
개요
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester is a member of piperazines.
이름 및 식별자
- 우선 이름
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- IUPAC
- phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
- 현지명
- 페닐{4-[4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL]페닐}카르바메이트
- 영어명
- Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
- 분자식
- C23H23N3O3
- 분자량
- 389.45
이름 및 동의어
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
이름 더 보기
페닐{4-[4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL]페닐}카르바메이트Posaconazole 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
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 501
물리화학적 성질
- 끓는 점
- 603.9 · 603.9±55.0 °C(Predicted)
- 밀도
- 1.296 · 1.296
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (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
안전 및 규제
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (90.9%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H410
화학 및 산업
응용 분야
개요Phenyl (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.
용도PHENYL {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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