5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone

HCID 135401477

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 139756-21-1
표준 SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIKey: MXQUEDUMKWBYHI-UHFFFAOYSA-N
분자식: C17H20N4O2
평균 분자량: 312.37 g/mol
단동위원소 질량: 312.15862588

개요

Imidazosagatriazinone is a pyrazolopyrimidine.

이름 및 식별자

우선 이름: 5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
IUPAC: 5-(2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
영어명: 5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]-7-PYRIMIDINONE
분자식: C17H20N4O2
분자량: 312.37

이름 및 동의어

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo(4,3-d)-7-pyrimidinoneRefChem:529465628-952-8139756-21-15-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-oneImidazosagatriazinone5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-onePDE5-IN-7MFCD030939295-(2-Ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneUK-088800

이름 더 보기

5-(2-Ethoxyphenyl)Sildenafil pyrimidinoneDPX 84UK 088800 (Standard)UK 088800, 10 mM in DMSOSildenafil LactaM IMpurity

E4M9V1JW7VCHEMBL540795-(2-Ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinoneUK 0888005-(2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7h-pyrazolo[4,3-d]pyrimidin-7-one7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-7(6H)-one

데이터베이스 식별자

CAS: 139756-21-1
PubChem CID: 135401477
DTXSID: DTXSID40358476
ChEMBL: CHEMBL54079
ChEBI: CHEBI:170049
UNII: E4M9V1JW7V
EC Number: 628-952-8
Nikkaji: J1.557.988I

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 468

물리화학적 성질

녹는점: 141 · 141-145 °C(lit.)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10.27 · 10.27±0.20(Predicted)
색상: 흰색에서 옅은 베이지까지
InChI: InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
InChIKey: MXQUEDUMKWBYHI-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2OCC)NC(=O)C2N(C)N=C(CCC)C=2N=1

화학적 성질

Light-Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.6%): Causes skin irritation [Warning Skin corrosion/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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)

안전 데이터

wgk: 3
HS 번호: 2933998090
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

상·하류 제품 정보

상류 원료

하류 제품

티오실데나필 5-[5-(2-Chloroacetyl)-2-ethoxyphenyl]-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one 하이드록시호모실데나필 5-(2-Ethoxyphenyl)-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidine-7-thione 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(5-bromo-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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