Estracyt

disodium;[(17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate

Also Known As: Estracyt|Emcyt|AC1Q1UYR|Estramustine phosphate sodium|AC1L23FI|Estramustine phosphate disodium|EINECS 257-735-7|Estramustine phosphate sodium [USAN:BAN:JAN]|Ro 21-8837/001|disodium [(17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate|disodium(17|A)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1,3,5(10)-trien-17-yl phosphate|Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt|Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogenphosphate), disodium salt|Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt

Molecular Formula	C23H30Cl2NNa2O6P
Molecular Weight	563.0983 g/mol
LogP	-1.96
Topological Polar Surface Area	101.96 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	563.0983
Heavy Atoms	35
Complexity	931.3

Chemical Identifiers

CAS Number	52205-73-9
SMILES	CC12CCC3C(C1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]