Oxibendazole

HCID 4622CAS 20559-55-1

기본 정보

표준 SMILES
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIKey
RAOCRURYZCVHMG-UHFFFAOYSA-N
분자식
C12H15N3O3
평균 분자량
249.27 g/mol
단동위원소 질량
249.11134134

개요

N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester is a member of benzimidazoles and a carbamate ester.

이름 및 식별자

우선 이름
Oxibendazole
IUPAC
methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
영어명
Oxibendazole
분자식
C12H15N3O3
분자량
249.27

이름 및 동의어

Oxibendazole20559-55-1Anthelcide EQFilaribits PlusOxibendazolumoxibendazolSK&F 30310Methyl 5-propoxy-2-benzimidazolecarbamateDTXSID5045625Methyl 5-n-propoxy-2-benzimidazole carbamateSK&F-303105-Propoxy-2-benzimidazolecarbamic acid methyl ester
이름 더 보기
FENBENDAZOLE SULFOXIDEOxbendazoleobdzEquitacSKF-30310OxbidazoleObendazoleAnthdcide EQ
NSC-758459Anthelcide EQ PasteCarbamic acid, (5-propoxy-1H-benzimidazol-2-yl)-, methyl ester022N12KJ0XDTXCID3025625methyl 5-n-propoxy-2-benzimidazolecarbamateRefChem:57474Anthelcide EQ Suspension

데이터베이스 식별자

CAS
20559-55-1
PubChem CID
4622
DTXSID
DTXSID5045625
ChEMBL
CHEMBL1087630
ChEBI
CHEBI:92907
UNII
022N12KJ0X
EC Number
243-877-7
Nikkaji
J10.991F

물성

구조 계산 물성

XLogP
2.4
극성 표면적
76.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
18

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Animal Drugs · 2건

FDA approved animal drugs -> Active ingredient

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 3건

156.71 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

173.5 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]

157.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
230 · 230-231°C
밀도
1.301 · 1.301±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
DMSO(난용성, 가열), THF(난용성, 가열)
산도 계수 (pKa)
10.6 · 10.60±0.10(Predicted)
물리적 상태
Solid

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory InformationOxibendazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Carbamic acid, (5-propoxy-1H-benzimidazol-2-yl)-, methyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
rtecs
FD0835000
독성
mouse,LDLo,oral,32gm/kg (32000mg/kg),American Journal of Veterinary Research. Vol. 38, Pg. 809, 1977.
HS 번호
29339900
기존화학 물질
KE-29763
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC CodeQP - Antiparasitic products, insecticides and repellents
Mechanism of Action · 1건

Oxibendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies.

Metabolism/MetabolitesHepatic
MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.

용도 및 제조

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

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