N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide

HCID 9937035
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기본 정보

CAS
289042-10-0
표준 SMILES
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CP(=O)(c1ccccc1)c1ccccc1
InChIKey
CVRDGWDBQZPJJI-UHFFFAOYSA-N
분자식
C28H29FN3O3PS
평균 분자량
537.6 g/mol
단동위원소 질량
537.16512764

이름 및 식별자

우선 이름
N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide
IUPAC
N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
영어명
N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
분자식
C28H29FN3O3PS
분자량
537.59

이름 및 동의어

N-(5-((Diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamideN-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamideN-(5-((Diphenylphosphinyl)methyl)-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl)-N-methylmethanesulfonamideRefChem:827928608-289-0289042-10-0N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamideMFCD09839448Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamideC28H29FN3O3PSN-{5-[(diphenylphosphoroso)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-N-methylmethanesulfonamide
이름 더 보기
ZD-9Rosu int ZD-9-4-(4-fluorophenyl)N-(5-((Diphenylphosphoryl)-6-isopropylpyrimidin-2-yl)Rosuvastatin Intermediates ZD9Rosuvastatin InterMediate Z-8.1rosuvastatin intermediates Z-8.1Rosuvastatin Diphenylphosphine Oxide
Diphenyl[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosphDiphenyl[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosphine OxideRosuvastatin Impurity 55CVRDGWDBQZPJJI-UHFFFAOYSA-NN-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide; Rosuvastatin Intermediate Z-8.1; Rosuvastatin Diphenylphosphine Oxide; Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-SCHEMBL247277DTXSID20433038AKOS015918318

데이터베이스 식별자

CAS
289042-10-0
PubChem CID
9937035
DTXSID
DTXSID20433038
EC Number
608-289-0
Nikkaji
J3.653.604G

물성

구조 계산 물성

XLogP
4.7
극성 표면적
88.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
37

물리화학적 성질

녹는점
185 · 185-187°C
끓는 점
679.1 · 679.1±65.0 °C(Predicted)
밀도
1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨)
산도 계수 (pKa)
-0.57 · -0.57±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 31-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25626
Hazard Classes and CategoriesSkin Sens. 1 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도An intermediate in the production of Rosuvastatin (R700500) derivatives.

상·하류 제품 정보

공급사100 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
杭州言鼎生物医药科技有限公司18989469219 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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