Product Name :
Estramustine phosphate sodium
Specifications & Purity :
10mM in Water
CAS :
52205-73-9
Formula:
C23H30Cl2NNa2O6P
Molecular Weight :
564.35
MDL number:
Synonyms :
Estramustine phosphate sodium|52205-73-9|Estramustine sodium phosphate|Estramustine phosphate disodium|Emcyt|Ro 21-8837/001|UNII-IQ856M1R16|DTXSID2048953|CHEBI:31562|IQ856M1R16|EINECS 257-735-7|Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phos
Shipped In:
Dry ice
IUPAC Name :
disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate
INCHI :
InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1
InChi Key:
IIUMCNJTGSMNRO-VVSKJQCTSA-L
Canonical SMILES:
CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]
Isomeric SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]
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