17beta-17'beta-Bis3-{bis(2-chloroethyl)carbamoyl-oxy}estra-1,3,5(10)-trienyl Pyrophosphate Disodium Salt
Product Code
MM0100.02
Product Format
Neat
Molecular Formula
C46 H60 Cl4 N2 O11 P2 . 2 Na
Molecular Weight
1066.71
API Family
Estramustine Sodium PhosphateProduct Categories
Product Type
ImpurityDrug Type
Antiestrogens
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
17beta-17'beta-Bis3-{bis(2-chloroethyl)carbamoyl-oxy}estra-1,3,5(10)-trienyl Pyrophosphate Disodium Salt
Molecular Formula
C46 H60 Cl4 N2 O11 P2 . 2 Na
Molecular Weight
1066.71
Accurate Mass
1064.2222
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-])OP(=O)([O-])O[C@H]5CC[C@H]6[C@@H]7CCc8cc(OC(=O)N(CCCl)CCCl)ccc8[C@H]7CC[C@]56C
InChI
InChI=1S/C46H62Cl4N2O11P2.2Na/c1-45-17-15-35-33-9-5-31(59-43(53)51(23-19-47)24-20-48)27-29(33)3-7-37(35)39(45)11-13-41(45)61-64(55,56)63-65(57,58)62-42-14-12-40-38-8-4-30-28-32(60-44(54)52(25-21-49)26-22-50)6-10-34(30)36(38)16-18-46(40,42)2, , /m0../s1, , /q, 2*+1/p-2/t35-,36+,37-,38+,39+,40-,41-,42-,45-,46-, , /h5-6,9-10,27-28,35-42H,3-4,7-8,11-26H2,1-2H3,(H,55,56)(H,57,58)
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] [[(8S,9R,13S,14R,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy-oxidophosphoryl] phosphate
Storage & Transport Information
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
GERMANY
Product Attributes
Product Type
Impurity
Product Format
Neat
Impurity Type
By-Product
API Family
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