Spinetoram

HCID 53297414CAS 935545-74-7
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기본 정보

표준 SMILES
CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC2C[C@H]3CC[C@H]4C5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@@H]1OC
InChIKey
GOENIMGKWNZVDA-OAMCMWGQSA-N
분자식
C42H69NO10
평균 분자량
748 g/mol

개요

Spinetoram is an organic molecular entity.

이름 및 식별자

우선 이름
Spinetoram
IUPAC
(2R,5R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione
영어명
SPINETORAM STANDARD
분자식
C42H69NO10·C43H69NO10
분자량
0

이름 및 동의어

SpinetoramDelegateRadiantEthyl spinosadXDE-175RefChem:888540YGZ1037ELNDTXSID3058614DE-175GF-1640814-347-8935545-74-7
이름 더 보기
Spinetoram (CRM)Spinetoram solutionSPINETORAM STANDARDC16972770 SpinetoramSpinetoram in AcetonitrileSpinetoram in Methanol solutionSpinetoram 10.0 μg/ml Acetonitrile
(2R,5R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dioneSCHEMBL29349473CHEBI:82041MSK20448C18894Q27155704Pesticide7_Spinetoram_C42H69NO10_1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, (3aR,5aR,9S,13S,14R,16aS,16bR)-

데이터베이스 식별자

CAS
935545-74-7
PubChem CID
53297414
ChEBI
CHEBI:82041
EC Number
814-347-8

물성

구조 계산 물성

XLogP
5.9
극성 표면적
111 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
10
무거운 원자 수
53

실험 및 물리화학적 성질

Pesticides · 3건

Insecticides

Active substance -> EU Pesticides database: Not approved

Pesticide (Spinetoram) -> USDA PDB

물리화학적 성질

저장 조건
-20 °C · -20°C
용해도
30 mg/ml; · DMF: 30 mg/ml; DMSO: 5 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
물리적 상태
결정성 고체
Henry's Law Constant
1 · 1.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
주요 응용
대마초 검사
EPA
Spinetoram (935545-74-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

유해성 정보

Regulatory Information · 4건

Commission Regulation (EU) No 188/2011

Spinetoram is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Dossier complete 08/740/EC, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2022/489, Reg. (EU) 2025/1092, Reg. (EU) No 140/2014, Reg. (EU) No 540/2011

REACH registered substance: Spinetoram (EC: 814-347-8)

Hazard Classes and Categories · 2건

Skin Sens. 1B (100%)

Skin sensitisation - category 1B

독성 정보

EPA Human Health Benchmarks for Pesticides · 5건

Spinetoram

0.0249

147

General Population

Human Health Benchmarks for Pesticides - 2021 Update

안전 데이터

wgk
WGK 2
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
스토리지 클래스
3 - Flammable liquids

화학 및 산업

약리 정보

ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationPesticides 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.
응용 분야 · 2건

개요Spinetoram is an insecticide and a semisynthetic derivative of the insecticide spinosad . Spinetoram is a mixture of 3’-ethyl-5,6-dihydrospinosyn J and 3’-ethoxy-spinosyn L . It induces mortality in H. armigera third, fourth, and fifth instar larvae when administered in the diet at 0.19 and 0.36 mg/kg and decreases pupal survival and adult emergence in surviving larvae. It also induces mortality of wild-type D. melanogaster but not D. melanogaster containing a genetic mutation in the Dα6 subunit of the nicotinic acetylcholine receptor (nAChR; LC50s = 0.025 and 4.4 μg/cm2, respectively, administered in the diet). Formulations containing spinetoram have been used as insecticides in agriculture.

용도Spinetoram belongs to spinosyn family of insecticides and shows potential of natural products research.

공급사13 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海毕楷科技有限公司18516304666

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