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기본 정보
- CAS
2784-27-2- 표준 SMILES
O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1- InChIKey
XEEDURHPFVXALT-UHFFFAOYSA-N- 분자식
- C15H12N2O3
- 평균 분자량
- 268.27 g/mol
- 단동위원소 질량
- 268.08479225
이름 및 식별자
- 우선 이름
- 5-(4-Hydroxyphenyl)-5-phenylhydantoin
- IUPAC
- 5-(4-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
- 현지명
- 5-(4-히드록시페닐)-5-페닐히단토인
- 영어명
- 5-(4-Hydroxyphenyl)-5-phenylhydantoin
- 분자식
- C15H12N2O3
- 분자량
- 268.27
이름 및 동의어
2784-27-24-Hydroxyphenytoin5-(4-Hydroxyphenyl)-5-phenylhydantoinHydroxyphenytoinp-Hydroxyphenytoin4-Hydroxydiphenylhydantoin5-(p-Hydroxyphenyl)-5-phenylhydantoinp-Hydroxydiphenylhydantoin(p-Hydroxyphenyl)phenylhydantoin(Hydroxyphenyl)phenylhydantoinpara-Hydroxyphenytoin5-(4'-Hydroxyphenyl)-5-phenylhydantoin
이름 더 보기
5-(4-히드록시페닐)-5-페닐히단토인5-(4-하이드록시페닐)-5-페닐이미다졸리딘-2,4-다이온NSC 1560814-Hydroxydiphenylhyhydroxydiphenylhydantoin5--5-phenyl-d5-hydantoin-13C3
5-(4-Hydroxyphenyl)-5-phenyl-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)-5-phenyl-L42OQX7ZQYCHEBI:63804DTXSID401031098NSC-1560814'-HPPH4-(4-hydroxyphenyl)-4-phenyl-4H-imidazole-2,5-diol
데이터베이스 식별자
- CAS
2784-27-2- PubChem CID
- 17732
- DTXSID
DTXSID401031098- ChEMBL
CHEMBL1908021- ChEBI
CHEBI:63804- UNII
- L42OQX7ZQY
- EC Number
- 220-492-2
- Nikkaji
- J77.744G
물성
구조 계산 물성보충 중
- XLogP
- 2.1
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 398
실험 및 물리화학적 성질
LogP1.70
Solubility>40.2 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 끓는 점
- 411.43 °C · 411.43°C (rough estimate)
- 밀도
- 1.1992 · 1.1992 (rough estimate)
- 굴절률
- 1.5906 · 1.5906 (estimate)
- 용해도
- 50 mg/mL, · 용해성50mg/mL, 투명, 무색 내지 희미한 노란색(DMF:MeOH(2:1))
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.37 · 8.37±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 36 mg/L · 36mg/L(37℃)
- InChI
- 1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)
- InChIKey
- XEEDURHPFVXALT-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 2
- rtecs
- MU2485000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/Metabolites4-Hydroxyphenytoin has known human metabolites that include 4-Hydroxyphenytoin glucuronide and 5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin.；4-Hydroxyphenytoin is a known human metabolite of phenytoin.
Cellular LocationsMembrane
Metabolite PathwaysPhenytoin (Antiarrhythmic) Action Pathway
응용 분야
용도5-(4-Hydroxyphenyl)-5-phenylhydantoin was used in enantiomeric separation of chiral pharmaceuticals using a teicoplanin chiral stationary phase by aqueous and non-aqueous packed capillary electrochromatography. It was used as internal standard in determination of phenylbutazone and its metabolite oxyphenbutazone in human plasma by GLC.
일반 설명5-(4-Hydroxyphenyl)-5-phenylhydantoin is the major metabolite of phenytoin.
공급사12 곳
盐城通铭生物科技有限公司15195160625 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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