헥사히드로실라디페니돌

Hexahydrosiladifenidol

HCID 3602CAS 98299-40-2

기본 정보

표준 SMILES
O[Si](CCCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIKey
QTBCATBNRIYMPB-UHFFFAOYSA-N
분자식
C20H33NOSi
평균 분자량
331.6 g/mol
단동위원소 질량
331.23314121

이름 및 식별자

우선 이름
Hexahydrosiladifenidol
IUPAC
cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane
현지명
헥사히드로실라디페니돌
영어명
hexahydrosiladifenidol
분자식
C20H33NOSi
분자량
331.57

이름 및 동의어

hexahydrosiladifenidolHhsi-difenidolHHSiDHexahydro-sila-diphenidol98299-40-2cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silaneLXZ2G00X0WSilanol, cyclohexylphenyl(3-(1-piperidinyl)propyl)-hexahydrosiladiphenidolRefChem:146060cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanolGNF-Pf-5565
이름 더 보기
헥사히드로실라디페니돌Hexahydro-sila-difenidol hydrochlorideCyclohexyl(3-piperidinopropyl)phenylsilanolCyclohexylphenyl(3-piperidinopropyl)silanolPhenylcyclohexyl(3-piperidinopropyl)silanolCyclohexylphenyl-(3-N-piperidinopropyl)silanolCyclohexylphenyl[3-(1-piperidinyl)propyl]silanolSilanol, 1-cyclohexyl-1-phenyl-1-[3-(1-piperidinyl)propyl]-
cyclohexyl(phenyl)(3-(piperidin-1-yl)propyl)silanolUNII-LXZ2G00X0WDTXSID20913340GTPL310CHEMBL3545990SCHEMBL21530611BDBM81799NSC_3602

데이터베이스 식별자

CAS
98299-40-2
PubChem CID
3602
DTXSID
DTXSID20913340
ChEMBL
CHEMBL3545990
UNII
LXZ2G00X0W
EC Number
635-538-0
Nikkaji
J128.591B

물성

구조 계산 물성

극성 표면적
23.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
23

물리화학적 성질

끓는 점
449.7 · 449.7±37.0 °C(Predicted)
밀도
1.03 · 1.03±0.1 g/cm3(Predicted)
산도 계수 (pKa)
13.91 · 13.91±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

risk_code
20/21/22
hazard_code
Xn
safety_code
36

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

공급사1 곳

SIGMAALDRICH—

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