アジスロマイシン二水和物
Azithromycin Dihydrate
基本情報
- CAS
117772-70-0- 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O- InChIKey
SRMPHJKQVUDLQE-KUJJYQHYSA-N- 分子式
- C38H76N2O14
- 平均分子量
- 785 g/mol
- 単同位体質量
- 784.5296551
概要
Azithromycin dihydrate is a hydrate. It contains an azithromycin.
名称と識別子
- 優先名称
- Azithromycin Dihydrate
- IUPAC
- (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;dihydrate
- 現地名
- アジスロマイシン二水和物
- 英語名
- Azithromycin dihydrate
- 分子式
- C38H74N2O13
- 分子量
- 767.01
名称と別名
AZITHROMYCIN DIHYDRATE117772-70-0TromixAzitromaxMisultina5FD1131I7SCHEBI:34546DTXSID80922539(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside dihydrate(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside dihydrateRefChem:5576DTXCID201351422
名称をさらに表示
アジスロマイシン二水和物アジトロマイシン二水和物アジスロマイシン 二水和物アジスロマイシン水和物アジスロマイシン水和物 (JP17)アジスロマイシン・二水和物ジスロマックazithromycin hydrate1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, dihydrate, (2R,3S,4R,5R,8R,10R
物性
構造計算による物性
- 極性表面積
- 182 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 16
- 回転可能結合数
- 7
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,150
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Bacterial Agents; Anti-Infective Agents; Macrolides
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 126 C · 126 C
- 沸点
- 717 ℃ · 717℃
- 比旋光度
- 26 · D26 -41.4° (c = 1 in CHCl3)
- 屈折率
- -47 ° · -47 ° (C=2, EtOH)
- 闪点
- 110 ° · >110°(230°F)
- 貯蔵温度
- room temp
- 溶解性
- 20 mg/mlでDMSOに可溶。クロロホルムまたは塩化エチレンにも可溶 · 20mg/mlでDMSOに可溶。クロロホルムまたは塩化エチレンにも可溶
- 外見
- 粉
- 色
- オフホワイト
- Merck
- 14 · 14,915
- 主な用途
- 医薬品（低分子化合物）
- InChIKey
- HQUPLSLYZHKKQT-LKXQDPNGNA-N
- EPAの化学物質情報
- 1 · 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-?-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-?-D-xylo-hexopyranosyl]oxy]-, dihydrate, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)- (117772-70-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 10.5% (2 of 19) of reports.
Danger
H317 (89.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-.alpha.-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-.beta.-D-xylo-hexopyranosyl]oxy]-, dihydrate, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (89.5%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- hs_code
- 29419000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
FDA Pharmacological Classification
AZITHROMYCIN DIHYDRATE
Macrolide Antimicrobial [EPC]; Macrolides [CS]
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
応用分野
使用Azithromycin dihydrate has anti-immunomodulatory/anti-inflammatory properties, which make it useful in treating cystic fibrosis. It shows an azalide antimicrobial agent active in vitro against various pathogens.
関連反応
1 件
化合物ノート
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