5α-Androstane-3β,17β-diol structure
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Common Name | 5α-Androstane-3β,17β-diol | ||
|---|---|---|---|---|
| CAS Number | 571-20-0 | Molecular Weight | 292.456 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 415.0±18.0 °C at 760 mmHg | |
| Molecular Formula | C19H32O2 | Melting Point | 121-128 °C(lit.) | |
| MSDS | N/A | Flash Point | 186.0±15.8 °C | |
Summary: 5α-Androstane-3β,17β-diol (Chinese name: 5α-雄烷二醇,CAS number: 571-20-0),molecular formula: C19H32O2,molecular weight: 292.456. Appearance: Powder, melting point: 121-128 °C, boiling point: 415.0±18.0 °C, density: 1.1±0.1 g/cm3. 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 | 5α-androstane-3β,17β-diol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 415.0±18.0 °C at 760 mmHg |
| Melting Point | 121-128 °C(lit.) |
| Molecular Formula | C19H32O2 |
| Molecular Weight | 292.456 |
| Flash Point | 186.0±15.8 °C |
| Exact Mass | 292.240234 |
| PSA | 40.46000 |
| LogP | 4.33 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.546 |
| InChIKey | CBMYJHIOYJEBSB-YSZCXEEOSA-N |
| SMILES | CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 10 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity towards human testosterone binding globulin.
Source: ChEMBL
Target: Sex hormone-binding globulin
External Id: CHEMBL809276
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Name: Estrogen receptor (ER) binding affinity
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL679678
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Name: Binding affinity against testosterone-binding globulin (TeBG)
Source: ChEMBL
Target: Sex hormone-binding globulin
External Id: CHEMBL812631
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Name: Growth response in cultures of MCF-7 (human breast cancer cell line) cells
Source: ChEMBL
Target: MCF7
External Id: CHEMBL710197
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Name: In silico binding affinity to human corticosteriod binding globulin
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL665988
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Name: Binding affinity against corticosteroid-binding globulin
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL665989
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Name: In silico binding affinity to corticosteroid binding globulin (CBG)
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL665992
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Name: Binding affinity for corticosteroid binding globulin is expressed as log(1/k)
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL665994
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Name: Binding affinity to human CBG receptor (corticosteroid-binding globulins)
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL665995
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Name: Binding affinity to the corticosteroid-binding globulin (CBG) receptor.
Source: ChEMBL
Target: Corticosteroid-binding globulin
External Id: CHEMBL840929
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Androstane-3,17-diol |
| 3b,17b-Dihydroxy-5a-androstane |
| MFCD00064140 |
| (3β,5α,17β)-Androstane-3,17-diol |
| 3β-Androstanediol |
| 3β androstanediol |
| 5α-Androstane-3β,17β-diol |
| EINECS 209-334-3 |
| 5A-Androstan-3B,17B-diol |
| 5α-Androstane-3β,17β-diol (8CI) |
| (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| 5alpha-androstane-3beta,17beta-diol |
| 5a-Androstane-3b,17b-diol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 5α-androstane-3β,17β-diol? |
| A: Melting point of 5α-androstane-3β,17β-diol is 121-128 °C(lit.). |
| Q: What is the English name of 5α-androstane-3β,17β-diol? |
| A: The English name of 5α-androstane-3β,17β-diol is 5α-androstane-3β,17β-diol. |
| Q: What is the CAS number of 5α-androstane-3β,17β-diol? |
| A: CAS number of 5α-androstane-3β,17β-diol is 571-20-0. |
| Q: What is the boiling point of 5α-androstane-3β,17β-diol? |
| A: Boiling point of 5α-androstane-3β,17β-diol is 415.0±18.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 5α-androstane-3β,17β-diol? |
| A: InChIKey of 5α-androstane-3β,17β-diol is CBMYJHIOYJEBSB-YSZCXEEOSA-N. |
| Q: What is the polar surface area (PSA) of 5α-androstane-3β,17β-diol? |
| A: Polar surface area (PSA) of 5α-androstane-3β,17β-diol is 40.46000. |
| Q: What is the safety information for 5α-androstane-3β,17β-diol? |
| A: Safety information for 5α-androstane-3β,17β-diol: S24-S45. |
| Q: What is the LogP of 5α-androstane-3β,17β-diol? |
| A: LogP of 5α-androstane-3β,17β-diol is 4.33. |
| Q: What is the molecular weight of 5α-androstane-3β,17β-diol? |
| A: Molecular weight of 5α-androstane-3β,17β-diol is 292.456. |
| Q: What are the upstream materials of 5α-androstane-3β,17β-diol? |
| A: Related upstream materials(CAS) of 5α-androstane-3β,17β-diol: 63-05-8;481-29-8;1239-31-2;906-83-2;521-18-6;846-46-8;122747-40-4;5953-63-9;17006-91-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |