Ivermectin B1a monosaccharide

HCID 178789084CAS 71837-27-9

基本情報

標準SMILES: CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIKey: IDRWWNAYSYRQBV-OESCZRLOSA-N
分子式: C41H62O11
平均分子量: 730.9 g/mol

名称と識別子

優先名称: Ivermectin B1a monosaccharide
IUPAC: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
英語名: IverMectin B1 Mono-sugar Derivative
分子式: C41H62O11
分子量: 730.94

名称と別名

Ivermectin B1a monosaccharideIvermectin EP Impurity HAvermectin A1a, 4'-O-de(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-5-O-demethyl-22,23-dihydro-CHEMBL502098orb16943494 inverted exclamation marka-O-De(2,6-Dideoxy-3-O-methyl-|A-L-arabino-hexopyranosyl)-5-O-demethyl-22,23-dihydroavermectin A1aHY-123686CS-0084251T35744F3409-0755(1R,2R,4S,5S,6R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6-[(2S)-butan-2-yl]-21,24-dihydroxy-12-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11,13,22-tetramethyl-3,7,19-trioxaspiro[oxane-2,6-tetracyclo[15.6.1.1,.0(2),(2)]pentacosane]-10,14,16,22-tetraen-2-oneIvermectin Impurity H

名称をさらに表示

Ivermectin impurity 9Ivermectin EP Impurity4Ivermectin Impurity H(EP)IDRWWNAYSYRQBV-LAYOOWMJSA-NIvermectin EP Impurity Impurity HIverMectin B1 Mono-sugar DerivativeIvermectin Impurity 8(Ivermectin EP Impurity H)Ivermectin EP Impurity H (Ivermectin B1 Monosaccharide)4''-O-de(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-5-O-demethyl-22,23-dihydroavermectin A1a

データベース識別子

CAS: 71837-27-9
ChEMBL: CHEMBL502098

物性

構造計算による物性

XLogP: 3.7
極性表面積: 142 Å²
水素結合供与体数: 3
水素結合受容体数: 11
回転可能結合数: 5
重原子数: 52
形式電荷: 0
複雑度: 1,410

物理化学的性質

沸点: 861.1 · 861.1±65.0 °C(Predicted)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
外見: A solid
酸解離定数(Pka): 12.42 · 12.42±0.70(Predicted)
安定性: Hygroscopic

化学と産業

応用分野 · 1 件

使用Ivermectin B1 Mono-sugar Derivative is an impurity of Ivermectin (I940800), an antiparasitic drug that is active against a wide variety of nematode and arthropod parasites and is used to treat scabies and lice in humans. An invitro inhibitor of SARS-CoV-2/ Covid-19.

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济南百隆化学有限公司[email protected] · [email protected]

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Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]