아버멕틴B1b

Abamectin B1B

HCID 6858005CAS 65195-56-4
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기본 정보

표준 SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InChIKey
ZFUKERYTFURFGA-PVVXTEPVSA-N
분자식
C47H70O14
평균 분자량
859 g/mol
단동위원소 질량
858.47655692

개요

Avermectin B1b is an avermectin.

이름 및 식별자

우선 이름
Abamectin B1B
IUPAC
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-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]-2'-one
현지명
아버멕틴B1b
영어명
Avermectin B1b
분자식
C47H70O14
분자량
859.05

이름 및 동의어

Avermectin B1bAbamectin B1babamectin component B1bAbamectin komponente B1bUNII-W8DT67027WAntibiotic C 076B(sub 1b)W8DT67027WEINECS 265-611-9Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)-IVERMECTIN IMPURITY B (EP IMPURITY)IVERMECTIN IMPURITY B [EP IMPURITY]RefChem:6605
이름 더 보기
아버멕틴B1bC-076B1bAviparazine B1bAntibiotic C-076B1bDolamectin Impurity 2Ivermectin Impurity B(EP)Ivermectin - Impurity B (EP/BP)Avermectin B1b 100 μg/ml Acetonitrile
265-611-965195-56-4Ivermectin EP Impurity BC47H70O14AvermectinB1bAbamectin B1b (~90%)(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-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]-2'-one5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)avermectin A1a

데이터베이스 식별자

CAS
65195-56-4
PubChem CID
6858005
DTXSID
DTXSID4058239
ChEMBL
CHEMBL2079552
ChEBI
CHEBI:29537
UNII
W8DT67027W
EC Number
265-611-9
Nikkaji
J33.375A

물성

구조 계산 물성

XLogP
3.5
극성 표면적
170 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
7
무거운 원자 수
61

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics
LipidsPolyketides [PK] -> Macrolides and lactone polyketides [PK04]
PesticidesAcaricides, Insecticides

물리화학적 성질

끓는 점
934.6 · 934.6±65.0 °C(Predicted)
밀도
1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
DMSO에 용해됨
물리적 상태
고체
산도 계수 (pKa)
12.42 · 12.42±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300+H330 (96.6%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 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. 2 (100%)

독성 정보

Health EffectsAvermectins are neurotoxic and have reproductive and developmental effects. (L1826)
Toxicity SummaryIt has low solubility in water and extensive non-specific binding. It opens GABA-insensitive chloride channels, reducing membrane resistance and increasing conductance inward. (T10)
Signs and SymptomsAvermectins cause irritation of skin and eyes, central nervous system depression (incoordination, tremors, lethargy, excitation, pupil dilation, coma), vomiting, convulsions and/or tremors, and respiratory failure at high doses. (L1826)
Carcinogen ClassificationNot listed by IARC.

안전 데이터

ridadr
2588
포장분류
II
위험 등급
6.1(a)

화학 및 산업

용도 및 제조

UsesActive ingredient in some commercial ant bait traps. (L829)
Use ClassificationAcaricides, Insecticides

응용 분야

용도Avermectin B1b is the minor component (

공급사45 곳

济南百隆化学有限公司[email protected] · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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