Clarithromycin 9-Oxime

HCID 9962216CAS 103450-87-9

基本情報

標準SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey: MWBJRTBANFUBOX-SQYJNGITSA-N
分子式: C38H70N2O13
平均分子量: 763 g/mol
単同位体質量: 762.48779029

名称と識別子

優先名称: Clarithromycin 9-Oxime
IUPAC: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
英語名: Clarithromycin (9Z)-Oxime
分子式: C38H70N2O13
分子量: 762.98

名称と別名

Clarithromycin 9-Oxime103450-87-9Clarithromycin (9Z)-OximeClarithromycin E-9-OximeClarithromycin 9-Oxime (E/Z mixture)127253-06-9(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one127253-05-8Clarithromycin EP impurity C6-O-Methylerythromycin A (E)-9-oxime; Oxacyclotetradecane, erythromycin deriv.; 9(E)-6-O-Methyl-erythromycin oximeErythromycin, 6-O-methyl-, 9-oxime, (9Z)-WWW97Q57W2

名称をさらに表示

CLARITHROMYCIN Z-OXIME6-O-methyl Ery A 9(Z)-oximeClarithromycin EP Impurity LClarithromycin Impurity L(EP)Clarithromycin EP Impurity L (USP RC L)Clarithromycin related compound L, EvoPureClarithromycin Impurity 12(Clarithromycin EP Impurity L)

CHEMBL4277273SCHEMBL25926088DTXSID20433331(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,Z)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-7-methoxy-6-O-Methylerythromycin A (Z)-9-oximeG91064(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-10-(hydroxyimino)-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

データベース識別子

CAS: 103450-87-9、127253-05-8
PubChem CID: 9962216
DTXSID: DTXSID20433331
ChEMBL: CHEMBL4277273
UNII: WWW97Q57W2

物性

構造計算による物性

XLogP: 3.4
極性表面積: 198 Å²
水素結合供与体数: 5
水素結合受容体数: 15
回転可能結合数: 8
重原子数: 53
形式電荷: 0
複雑度: 1,230

物理化学的性質

融点: 212 · 212-215oC
沸点: 827.7 · 827.7±65.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C Freezer, Under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 11.94 · 11.94±0.70(Predicted)
外見: 個体
色: ホワイトからオフホワイト
主な用途: 医薬品低分子化合物
InChIKey: MWBJRTBANFUBOX-YFKXTQMRNA-N

安全と法規制

安全データ

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Clarithromycin (9Z)-Oxime (Clarithromycin EP Impurity L) is an impurity of Clarithromycin (C559750); a semi-synthetic macrolide antibiotic and derivative of Erythromycin (E650000).

サプライヤー23 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]

佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]