基本情報
- CAS
935545-74-7- 標準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- 分子式
- C42H69NO10
- 平均分子量
- 748 g/mol
概要
Spinetoram is an organic molecular entity.
名称と識別子
- 優先名称
- 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
- 現地名
- ディアナ
- 英語名
- SPINETORAM STANDARD
- 分子式
- C42H69NO10·C43H69NO10
- 分子量
- 0
名称と別名
SpinetoramDelegateRadiantEthyl spinosadXDE-175RefChem:888540YGZ1037ELNDTXSID3058614DE-175GF-1640814-347-8935545-74-7
名称をさらに表示
スピネトラムJ/スピネトラムLディアナスピネアタック(1S,2R,5R,7R,9R,10S,14R,15S,19S)-7-(6-デオキシ-3-O-エチル-2,4-ジ-O-メチル-α-L-マンノピラノシルオキシ)-15-[(2R,5S,6R)-5-(ジメチルアミノ)テトラヒドロ-6-メチルピラン-2-イルオキシ]-19-エチル-14-メチル-20-オキサテトラシクロ[10.10.0.02,10.05,9]ドコサ-11-エン-13,21-ジオン(別名:スピネトラム-J)と(1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-(6-デオキシ-3-O-エチル-2,4-ジ-O-メチル-α-L-マンノピラノシルオキシ)-15-[(2R,5S,6R)-5-(ジメチルアミノ)テトラヒドロ-6-メチルピラン-2-イルオキシ]-19-エチル-4,14-ジメチル-20-オキサテトラシクロ[10.10.0.02,10.05,9]ドコサ-3,11-ジエン-13,21-ジオン(別名:スピネトラム-L)の混合物(別名:スピネトラム)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)-
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 111 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 11
- 回転可能結合数
- 10
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,260
実験および物理化学的性質
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
Pesticide (Spinetoram) -> USDA PDB
物理化学的性質
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 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
- 外見
- A crystalline solid
- Henry's Law Constant
- 1 · 1.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- 主な用途
- 大麻検査
- EPAの化学物質情報
- Spinetoram (935545-74-7)
安全と法規制
GHS分類
GHS Classification
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]
危険有害性情報
Regulatory Information
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
Skin Sens. 1B (100%)
Skin sensitisation - category 1B
毒性情報
EPA Human Health Benchmarks for Pesticides
Spinetoram
0.0249
147
General Population
Human Health Benchmarks for Pesticides - 2021 Update
安全データ
- wgk
- WGK 2
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
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.
応用分野
説明Spinetoram 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.
使用Spinetoram belongs to spinosyn family of insecticides and shows potential of natural products research.
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