Estropipate (7280-37-7)

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: 78.05Ų ; (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

Reported in NTP 10th Report on Carcinogens.