Product Code

TRC-E888983

CAS Number

52205-73-9

Product Format

Neat

Molecular Formula

C23H30Cl2NNa2O6P

Molecular Weight

564.35

Product Categories

TRC

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free Base: 4891-15-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Estramustine Disodium Phosphate

CAS Number

52205-73-9

Molecular Formula

C23H30Cl2NNa2O6P

Molecular Weight

564.35

Accurate Mass

563.0983

SMILES

[Na+].[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(=O)([O-])[O-]

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

IUPAC

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

Alternate CAS Number

Free Base: 4891-15-0

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Estramustine Disodium Phosphate (~85%)

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