Introduction：Basic information about CAS 6639-99-2|17alpha-Dihydroequilin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 17alpha-Dihydroequilin |
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| CAS Number | 6639-99-2 | Molecular Weight | 268.350 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 472.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H20O2 | Melting Point | / |
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| MSDS | / | Flash Point | 226.1±23.3 °C |
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Names
| Name | Estra-1,3,5,7,9-pentaene-3,17-diol,(17a) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 472.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H20O2 |
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| Molecular Weight | 268.350 |
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| Flash Point | 226.1±23.3 °C |
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| Exact Mass | 268.146332 |
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| PSA | 40.46000 |
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| LogP | 4.14 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.677 |
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| InChIKey | RYWZPRVUQHMJFF-KSZLIROESA-N |
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| SMILES | CC12CCc3c(ccc4cc(O)ccc34)C1CCC2O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KG6000000
- CHEMICAL NAME :
- alpha-Estra-1,3,5,7,9-pentaen-3,17-diol
- CAS REGISTRY NUMBER :
- 6639-99-2
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H20-O2
- MOLECULAR WEIGHT :
- 268.38
- WISWESSER LINE NOTATION :
- L E5 B666 FV OV NHTT&&J E1 &A
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Implant
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
- REFERENCE :
- RBBIAL Revista Brasileira de Biologia. Brazilian Review of Biology. (Academia Brasileira de Ciencias, Caixa Postal 229, ZC-00 Rio de Janeiro, Brazil) V.1- 1941- Volume(issue)/page/year: 5,1,1945
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Synonyms
| (13S)-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene-3,17t-diol |
| 17alpha-Dihydroquilenin |
| (13S)-3.17t-Dihydroxy-13r-methyl-(14tH)-12.13.14.15.16.17-hexahydro-11H-cyclopenta[a]phenanthren |
| (17α)-Estra-1,3,5(10),6,8-pentaene-3,17-diol |
| 17ALPHA-DIHYDROEQUILIN (50 MG) |
| (13S)-13-Methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren-3,17t-diol |
| alfa-dihydroequilenina |
| 17α-Dihydroequilenin |
| Estra-1,3,5(10),6,8-pentaene-3,17-diol, (17α)- |
| estra-1,3,5,7,9-pentaene-3,17alpha-diol |
| Estra-1,3,5(10),6,8-pentaene-3,17α-diol (8CI) |
| frac12 |
