Estramustine phosphate sodium
Properties
- Molecular formula
- C23H30Cl2NNa2O6P
- Molar mass
- 564.35 g/mol
- Exact mass
- 563.0983 Da
- logP
- 4.54Crippen estimate
- Polar surface area
- 96.3 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 7
- Stereocentres
- S, S, R, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
52205-73-9SMILES
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP([O-])([O-])=O.[Na+].[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-[N,N-bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate), sodium salt (1:2)
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate), disodium salt
- Estracyt
- Estramustine phosphate disodium
- Emcyt
- Estramustine phosphate disodium salt
- Ro 21-8837/001
Work with Estramustine phosphate sodium
Similar compounds
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Promestriene39219-28-844 % similar
Estradiol 17-acetate1743-60-844 % similar
Conjugated estrogens12126-59-942 % similar
Estradiol cypionate313-06-441 % similar
Estradiol valerate979-32-841 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.