C110H172O48
2262.5 g/mol
Aktif Farmasötik İngredientUyarı
Amorphous aescin
CAS6805-41-0EC229-880-6
Kategori
Aktif Farmasötik İngredient
Bileşik Sınıfı
Doğal Ürün
Birincil Kullanım
Farmasötik ham madde
Amorphous aescin is an active pharmaceutical ingredient used in the manufacturing of medications for venous disorders. It is a complex, multi-component saponin mixture with high polarity and multiple hydroxyl groups, supplied as a raw material for pharmaceutical compounding.
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CAS 6805-41-0
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Referansstereoisomer of
Saponins
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Referansstereoisomer of
(2S,3S,4S,5R,6R)-6-(((4S,6Bs,8R,9R)-9-Acetyloxy-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-10-((E)-2-Methylbut-2-Enoyl)Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy)-4-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxy-5-((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxane-2-Carboxylic Acid
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Referansstereoisomer of
Alpha-Aescin
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Güvenlik Referansı
Uyarı
H302Harmful if swallowed
H332Harmful if inhaled
H319Causes serious eye irritation
H335May cause respiratory irritation
H411Toxic to aquatic life with long lasting effects
Tanımlayıcılar
IUPAC Adı
(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
InChIKey
YFESOSRPNPYODN-RSMWSHJLSA-N
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C.C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C
Eş Anlamlılar (13)
- A-4700
- Aescusan
- Amorphous aescin
- Escin
- Escina
- Escina [Italian]
- Eskuzan
- Fepalitan
- Feparil
- Reparilu
- Reparilu [Czech]
- beta Aescin
- opinobiomo