Oxatomide

HCID 4615CAS 60607-34-3

기본 정보

표준 SMILES
O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey
BAINIUMDFURPJM-UHFFFAOYSA-N
분자식
C27H30N4O
평균 분자량
426.6 g/mol
단동위원소 질량
426.24196158

개요

Oxatomide is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. It has a role as a geroprotector, a H1-receptor antagonist, a serotonergic antagonist, an anti-allergic agent and an anti-inflammatory agent. It is a member of benzimidazoles, a N-alkylpiperazine and a diarylmethane.

이름 및 식별자

우선 이름
Oxatomide
IUPAC
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
영어명
Oxatomide
분자식
C27H30N4O
분자량
426.55

이름 및 동의어

oxatomide60607-34-3TinsetCeltectOxatimideOxatomidaOxatomidumKW-4354CobionaDastenR-35443DTXSID4045181
이름 더 보기
TinseTruxar35443CenacertFensedyl
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-oneR 35,443J31IL9Z2EENSC-309710CHEBI:319431-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-2-benzimidazolinone2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-

데이터베이스 식별자

CAS
60607-34-3
PubChem CID
4615
DTXSID
DTXSID4045181
ChEMBL
CHEMBL13828
ChEBI
CHEBI:31943
UNII
J31IL9Z2EE
EC Number
262-320-9
Nikkaji
J18.379B

물성

구조 계산 물성

XLogP
4.1
극성 표면적
38.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
32

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.73

물리화학적 성질

녹는점
153.6 C · 153.60C
끓는 점
541.98 °C · 541.98°C (rough estimate)
밀도
1.1239 · 1.1239 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
Refrigerator
용해도
DMSO: 용해될 수 있다

화학적 성질

White Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Other Safety InformationIMAP assessments - 2H-Benzimidazol-2-one, 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Oxatomide

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk
3
rtecs
DE2276000
독성
LD50 in guinea pigs, mice, rats (mg/kg): 320, >2560, >2560 orally; 23, 27, 30 i.v. (Richards)
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36

화학 및 산업

약리 정보

ATC Code · 2건

R - Respiratory system

QR - Respiratory system

MeSH Pharmacological Classification · 3건

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Drugs that are used to treat asthma.

Metabolite PathwaysOxatomide H1-Antihistamine Action

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

관련 반응

22건

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