CAS 144690-92-6 Tritylolmesartan medoxomil (HCID 19036162)

기본 정보

CAS: 144690-92-6
표준 SMILES: CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: IJOPLMOXIPGJIJ-UHFFFAOYSA-N
분자식: C48H44N6O6
평균 분자량: 800.9 g/mol
단동위원소 질량: 800.33223313

이름 및 식별자

우선 이름: Tritylolmesartan medoxomil
IUPAC: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
현지명: 트리틸올메사르탄
영어명: Trityl olmesartan
분자식: C48H44N6O6
분자량: 800.9

이름 및 동의어

144690-92-6Tritylolmesartan medoxomilTrityl olmesartanN1-Tritylolmesartan medoxomilUNII-8591TIT3608591TIT360DTXSID70162785EC 604-437-3(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylate

이름 더 보기

트리틸올메사르탄AtilaFolusenOMSTint-GOlMesartan tritylTrithyl Olmesartan

물성

구조 계산 물성

XLogP: 8.7
극성 표면적: 143 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 15
무거운 원자 수: 60
형식 전하: 0
복잡도: 1,420

물리화학적 성질

녹는점: 104 · 104-106°C
끓는 점: 960 · 960.0±75.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: 1 mg/ml
산도 계수 (pKa): 13.21 · 13.21±0.29(Predicted)
물리적 상태: 고체
InChIKey: IJOPLMOXIPGJIJ-UHFFFAOYSA-N
SMILES: C1(CCC)N(CC2=CC=C(C3=CC=CC=C3C3N(C(C4=CC=CC=C4)(C4=CC=CC=C4)C4=CC=CC=C4)N=NN=3)C=C2)C(C(OCC2=C(C)OC(=O)O2)=O)=C(C(O)(C)C)N=1

화학적 성질

Off-White to White Powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory InformationStatus: Active Update: 13-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12214

Hazard Classes and CategoriesNot Classified

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H228

화학 및 산업

응용 분야

용도N-1 Trityl Olmesartan Medoxomil (Olmesartan EP Impurity D) is an olmesartan medoxomil intermediate.

상·하류 제품 정보

상류 원료

1-benzyl-5-phenyltetrazole 1114761-92-0 4-(1-하이드록시-1-메틸에틸)-2- 프로필-1-[[2'-[1-(트라이페닐메틸)-1H-테트라졸-5-일][1,1'-바이페닐]-4-일]메틸]-1H-이미다졸-5-카복실산 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylic acid (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate 5-(4'-Bromomethyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole 4-브로모메틸-5-메틸-1,3-디옥솔-2-온

화합물 노트

불러오는 중…

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