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Cas Database |
| Name |
Estropipate |
EINECS | 230-696-3 |
| CAS No. | 7280-37-7 | Density | N/A |
| PSA | 113.11000 | LogP | 4.21100 |
| Solubility | N/A | Melting Point |
245 °C |
| Formula | C18H22O5S.C4H10N2 | Boiling Point | 638.2 °C at 760 mmHg |
| Molecular Weight | 436.572 | Flash Point | 339.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Confirmed carcinogen. When heated to decomposition it emits toxic vapors of SOx and NOx. | Risk Codes | 45-22 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
3-(SULFOOXY)ESTRA-1,3,5(10)-TRIEN-17-ONE, W/PIP*;Estrone hydrogen sulfate compound with piperazine (1:1);Ogen (TN);Piperazine, compd. with 3-(sulfooxy)estra-1,3,5(10)-trien-17-one (1:1) (9CI);Estrone sulfate piperazine;Ogen;29080-16-8;Piperazine oestrone sulphate;Estropipate [USAN];Piperazine estrone sulfate;Conjugated estrogens: piperazine estrone sulfate;Estra-1,3,5(10)-trien-17-one,3-(sulfooxy)-,compd. with piperazine (1:1);Estrone, hydrogen sulfate, compd. with piperazine (1:1) (8CI);Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, compd. with piperazine (1:1);Ortho-Est;(8S,9S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene; piperazine;Piperazine, compd. with estrone hydrogen sulfate (1:1) (8CI);(9S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene; piperazine;Harmogen;Estra-1,3,5(10)-trien-17-one 3-sulphate, compound with piperazine (1:1);Sulestrex;PIPERAZINE ESTRONE SULFATE;PIPERAZINE, compounded with ESTRONE HYDROGEN SULFATE (1:1) (8CI);ESTRONE, HYDROGEN SULFATE, compounded with PIPERAZINE (1:1) (8CI);ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(SULFOOXY)-, compounded with PIPERAZINE (1:1);PIPERAZINE, compounded with 3-(SULFOOXY)ESTRA-1,3,5(10)-TRIEN-17-ONE (1:1) (9CI); |
Article Data | 1 |
Estropipate Synthetic route
| Conditions | Yield |
|---|---|
| In dichloromethane at 20 - 25℃; Solvent; | 83.2% |
Estropipate Consensus Reports
Reported in NTP 10th Report on Carcinogens.
Estropipate Analytical Methods
AnalyticalMethods of Piperazine estrone sulfate (7280-37-7) is RP-HPLC.
Estropipate Specification
The Piperazine estrone sulfate with the cas number 7280-37-7, is also called (1)Estrone hydrogen sulfate compound with piperazine (1:1) Estropipate ; (2)Harmogen ; (3)Piperazine estrone sulfate ; (4)Sulestrex ; (5)Estra-1,3,5(10)-trien-17-one 3-sulphate, compound with ; (6)piperazine (1:1) ; (7)Estrone, hydrogen sulfate, compd. with piperazine (1:1) (8CI); (8)Piperazine, compd. with 3-(sulfooxy)estra-1,3,5(10)-trien-17-one (1:1) (9CI); (9)Piperazine, compd. with estrone hydrogen sulfate (1:1) (8CI). It blongs to Steroids product categories.
Propertes of Piperazine estrone sulfate: (1)ACD/LogP: 3.51 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.01 ; (4)ACD/LogD (pH 7.4): 0.01 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 78.05Å2 ; (13)Flash Point: 339.8 °C ; (14)Enthalpy of Vaporization: 99.07 kJ/mol ; (15)Boiling Point: 638.2 °C at 760 mmHg ; (16)Vapour Pressure: 3.66E-17 mmHg at 25°C
Piperazine estrone sulfate, which is a natural estrogenic substance, is prepared from purified crystalline estrone, solubilized as the sulfate and stabilized with piperazine. It has a high solubility in water and without no odor or taste — these properties are ideally suited for patient to take it orally. The amount of piperazine in OGEN is not sufficient to exert a pharmacological action. Addition of Piperazine estrone sulfate ensures solubility, stability, and uniform potency of the estrone sulfate.
You can still convert the following datas into molecular structure :
1. SMILES: O=S(=O)(O)Oc1cc4c(cc1)[C@@H]3[C@H]([C@@H]2CCC(=O)[C@@]2(C)CC3)CC4.N1CCNCC1
2. InChI: InChI=1/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1
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