基本情報
- CAS
167029-45-0- 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)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21- InChIKey
CWQUMFCKXBZHJP-YZPBMOCRSA-N- 分子式
- C49H79N3O16
- 平均分子量
- 966.2 g/mol
- 単同位体質量
- 965.54603344
名称と識別子
- 優先名称
- Erythromycin nalidixate
- IUPAC
- (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
名称と別名
Erythromycin nalidixate167029-45-0DTXSID10168221RefChem:137792DTXCID4090712Erythromycin, 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylateErythromycin, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione (1/1)
データベース識別子
- CAS
167029-45-0- PubChem CID
- 84035
- DTXSID
DTXSID10168221
物性
構造計算による物性
- 極性表面積
- 264 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 19
- 回転可能結合数
- 9
- 重原子数
- 68
- 形式電荷
- 0
- 複雑度
- 1,550
関連反応
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