CAS 41639-72-9 (1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one (HCID 10005375)

基本情報

CAS: 41639-72-9
標準SMILES: O=C(/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1
InChIKey: IKVNJBXCGFXOJM-FRYMLLMQSA-N
分子式: C31H28O5
平均分子量: 480.5 g/mol

名称と識別子

優先名称: (1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one
IUPAC: [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
英語名: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester
分子式: C31H28O5
分子量: 480.55

名称と別名

41639-72-9(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octan-3-oneRefChem:394227682-023-1[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-Phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoateIKVNJBXCGFXOJM-FRYMLLMQSA-NRMZ7K7FQT8SCHEMBL1364975WLZ3884

名称をさらに表示

LT-BPKProstaglandin Impurity 13LT-BPK(BiMaprost￠Latanprost)[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-...Biphenyl-4-carboxylic acid2-oxo-4-(3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5-ylester

物性

構造計算による物性

XLogP: 5.6
極性表面積: 69.7 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 9
重原子数: 36
形式電荷: 0
複雑度: 798

物理化学的性質

融点: 130 · 130-131 °C
沸点: 695.2 · 695.2±55.0 °C(Predicted)
比重(密度): 1.26 · 1.26
溶解性: DCM、酢酸エチル
外見: 個体
色: 白い

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H319

化学と産業

応用分野 · 1 件

使用[1,1''-Biphenyl]-4-carboxylic Acid (3aR,4R,5R,6aS)-Hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester is an intermediate in the synthesis of Latanoprost (L177280) related analogues used in the treatment of glaucoma and various degenerative eye diseases.

上流・下流製品情報

下流製品

Latanoprost Lactone Diol

サプライヤー34 社

湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

化合物ノート

読み込み中…

(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one