-
Name
sodium 4-{(1R,2S)-1-ethyl-2-[4-(phosphonooxy)phenyl]butyl}phenyl hydrogen phosphate
- EINECS
- CAS No. 101952-86-7
- Density g/cm3
- Solubility
- Melting Point
- Formula C18H24 O8 P2 . Na
- Boiling Point 618.1°Cat760mmHg
- Molecular Weight 453.35
- Flash Point 327.6°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of POx and Na2O.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Sodium hexestrol diphosphate Chemical Properties
IUPAC Name: Sodium [4-[(3R,4S)-4-(4-phosphonooxyphenyl)hexan-3-yl]phenyl] hydrogen phosphate
Synonyms of Sodium hexestrol diphosphate (CAS NO.101952-86-7): Hexestrol diphosphate sodium ; Phenol, 4,4'-(1,2-diethylethylene)di-, bis(dihydrogen phosphate), sodium salt, meso-
CAS NO: 101952-86-7
Molecular Formula: C18H23NaO8P2
Molecular Weight : 452.3077
Molecular Structure: .png)
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 9
Polar Surface Area: 120.14 Å2
Flash Point: 327.6 °C
Enthalpy of Vaporization: 96.35 kJ/mol
Boiling Point: 618.1 °C at 760 mmHg
Vapour Pressure: 3.88E-16 mmHg at 25°C
Sodium hexestrol diphosphate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. | |
| mouse | LD50 | oral | 1gm/kg (1000mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. | |
| mouse | LD50 | subcutaneous | > 3gm/kg (3000mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. | |
| rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. | |
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. | |
| rat | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | Drugs in Japan Vol. 6, Pg. 744, 1982. |
Sodium hexestrol diphosphate Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When Sodium hexestrol diphosphate (CAS NO.101952-86-7) is heated to decomposition, it emits toxic fumes of POx and Na2O.
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