Estramustine

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For Research Use Only | Not For Clinical Use
CATAPS2998574
CAS2998-57-4
Structure
SynonymsEstramustine
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
Molecular Weight440.40
Molecular FormulaC23H31Cl2NO3
Canonical SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O
InChIInChI=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
Accurate Mass439.1681
FormatNeat
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS2998574-1 25MG Room Temperature 2-8°C Fridge/Coldroom API Family: Matrix - API Family See respective official monograph(s); Product Type: API; Subcategory: British Pharmacopoeia Inquiry
APS2998574-2 Room Temperature +5°C API Family: Matrix - API Family Estramustine Sodium Phosphate; Product Type: Impurity; Subcategory: Impurity standards, Mikromol, Anticancerous Inquiry
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