Eprinomectin
기본 정보
- CAS
123997-26-2- 표준 SMILES
CO[C@H]1C[C@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C/C=C\[C@@H]2C)[C@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](NC(C)=O)[C@H](C)O1- InChIKey
WPNHOHPRXXCPRA-TVXIRPTOSA-N- 분자식
- C49H73NO14
- 평균 분자량
- 900.1 g/mol
- 단동위원소 질량
- 899.503106
개요
structure in first source; eprinomectin is the (4''R)-isomer
이름 및 식별자
- 우선 이름
- Eprinomectin
- IUPAC
- N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
- 영어명
- Eprinomectin
- 분자식
- C50H75NO14
- 분자량
- 914.1288
이름 및 동의어
EprinexeprinomectinaeprinomectinumEprizeroLongrangeEpriGard75KP30FD8OBROADLINE COMPONENT EPRINOMECTINEprinex Pour-On for Beef and Dairy CattleEpriGard Pour-On for Beef and Dairy CattleN-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamideN-((2S,3R,4R,6S)-6-((2S,3R,4S,6R)-6-((1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro(2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo(15.6.1.14,8.020,24)pentacosa-10,14,16,22-tetraene)-12'-yl)oxy-4-methoxy-2-methyloxan-3-yl)oxy-4-methoxy-2-methyloxan-3-yl)acetamide
이름 더 보기
Emamectin B1 BenzoateEprinomectin (Mixture of B1a and B1b)EprinomectionEprinomectinB1AcetaminobamectinAcetaminoabamectinacetamido abamectin
RefChem:57175DTXSID8037542CHEBI:82596123997-26-2AAB(1) avermectinEprinomectinEprinomectineMK 397
데이터베이스 식별자
- CAS
123997-26-2- PubChem CID
- 6450531
- ChEMBL
CHEMBL3989594- EC Number
- 602-966-4
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,830
실험 및 물리화학적 성질
PesticidesPesticide (Eprinomectin) -> USDA PDB
Animal DrugsFDA approved animal drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 163 · 163-166°C
- 밀도
- 1.23 · 1.23
- 인화점
- 2 °C · 2 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
- 물리적 상태
- Solid
- 색상
- White to off-white
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChIKey
- WPNHOHPRXXCPRA-TVXIRPTOSA-N
화학적 성질
Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationEprinomectin: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811
- 독성
- LD50 orally in mice: 24 mg/kg (Jones)
- HS 번호
- 2941906000
- risk_code
- 11-20/21/22-36-62-50/53-25-63
- hazard_code
- F,Xn,N,T
- safety_code
- 26-36/37-16-61-60-45
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Repr. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
용도 및 제조
Use ClassificationVeterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
응용 분야
개요Eprinomectin is a semisynthetic avermectin that consists of a mixture of two homologues, eprinomectin B1a (4 epi-acetylamino-4 -deoxy-avermectin B1; 90%) and eprinomectin B1b (10%).Eprinomectin was developed as a topical endectocide for all categories of cattle including lactating dairy cattle, and the process by which eprinomectin was selected for further development has been described (90). Briefly, several hundred avermectin/ milbemycin analogues were screened in a sheep model for efficacy against a range of endoparasites and in lactating dairy cows for a low milk:plasma partitioning ratio. Themilk:plasma ratio for eprinomectin is
용도Eprinomectin is a mixture of eprinomectins B1a and B1b in a 9:1 ratio, produced from a mixture of avermectin B1a and B1b. Eprinomectin is used commercially as a topical endectocide (insecticide, miticide and nematocide) for cattle, including lactating dairy cows. Like all avermectins and milbemycins, eprinomectin acts by binding to parasite glutamate-gated chloride ion channels and disrupts neurotransmission leading to paralysis and death of the parasite, mite or insect.
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