β-Estradiol 17-(β-D-glucuronide) sodium salt
β-Estradiol 17-(β-D-glucuronide) sodium salt structure
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Common Name | β-Estradiol 17-(β-D-glucuronide) sodium salt | ||
|---|---|---|---|---|
| CAS Number | 15087-02-2 | Molecular Weight | 470.5 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C24H31NaO8 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07, GHS08 |
Signal Word | Warning | |
Use of β-Estradiol 17-(β-D-glucuronide) sodium saltEstradiol 17-(β-D-Glucuronide) sodium, a metabolite of estrogen, is well known to cause intrahepatic cholestasis in humans[1]. |
Summary: β-Estradiol 17-(β-D-glucuronide) sodium salt (CAS number: 15087-02-2, molecular formula: C24H31NaO8, molecular weight: 470.5), for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Estradiol 17-(β-D-Glucuronide) sodium, a metabolite of estrogen, is well known to cause intrahepatic cholestasis in humans[1]. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C24H31NaO8 |
|---|---|
| Molecular Weight | 470.5 |
| Exact Mass | 470.19166222 |
| PSA | 136.68000 |
| LogP | 1.52570 |
| InChIKey | UQSHTUQZFYMYFO-VGYGJRAWSA-M |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O.[Na+] |
| Storage condition | -20°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07, GHS08 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H332-H351 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S22 |
| RIDADR | NONH for all modes of transport |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~43%
β-Estradiol 17-... CAS#:15087-02-2 |
| Literature: Numazawa, Mitsuteru; Nagaoka, Masao; Tsuji, Masachika; Osawa, Yoshio Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 1 p. 121 - 125 |
|
~%
β-Estradiol 17-... CAS#:15087-02-2 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 121 - 125 |
|
~%
β-Estradiol 17-... CAS#:15087-02-2 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 121 - 125 |
|
~%
β-Estradiol 17-... CAS#:15087-02-2 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 121 - 125 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 1 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Hexopyranosiduronic acid, 3-hydroxyestra-1,3,5(10)-trien-17-yl, sodium salt (1:1) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Molecular formula of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is C24H31NaO8. |
| Q: What is the polar surface area (PSA) of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Polar surface area (PSA) of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is 136.68000. |
| Q: What are the upstream materials of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Related upstream materials(CAS) of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid: 14364-66-0;19590-55-7;86030-37-7;21085-72-3. |
| Q: What are the downstream products of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Related downstream products(CAS) of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid: 19590-55-7. |
| Q: What is the English name of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: The English name of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid. |
| Q: What is the molecular weight of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Molecular weight of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is 470.5. |
| Q: What English synonyms does sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid have? |
| A: English synonyms of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid: Hexopyranosiduronic acid, 3-hydroxyestra-1,3,5(10)-trien-17-yl, sodium salt (1:1). |
| Q: What is the LogP of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: LogP of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is 1.52570. |
| Q: What are the storage conditions for sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: Storage conditions for sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid: -20°C. |
| Q: What is the SMILES notation of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid? |
| A: SMILES notation of sodium,3,4,5-trihydroxy-6-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]oxane-2-carboxylic acid is C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O.[Na+]. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |