Estramustine

Molecular structure via molpic based on CDK

Physical properties []
Molecular mass	440.4 g/mol [1]
Melting point	104.5 °C [1]
Solubility	3.85e-04 g/L [1]
Predicted LogP	4 [1]

Structural Identifiers []
Molecular formula	C23H31Cl2NO3 [1]
IUPAC name	[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate [1]
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl [1]
InChI	InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1 [1]
InChIKey	FRPJXPJMRWBBIH-RBRWEJTLSA-N [1]

Estramustine

Estramustine (also known as Estramustinum, Estramustina, Estradiol 3-(N,N-bis(2-chloroethyl)carbamate), 17β-Estradiol 3-(bis(2-chloroethyl)carbamate), Estradiol 3-[bis(2-chloroethyl)carbamate], RO 21-8837, Ro 22-2296/000, Estradiol 3-(bis(2-chloroethyl)carbamate), Ro-222296000 or Ro-22-2296000)

Chemistry