estramustine phosphate sodium monohydrate (Q27266379)

UNII-75F375MT2N (English)

14 October 2016

chemical formula

C₂₃H₃₂Cl₂NNa₂O₇P

1 reference

UNII-75F375MT2N (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.O.[Na+].[Na+]

1 reference

UNII-75F375MT2N (English)

20 November 2016

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.O.[Na+].[Na+]

1 reference

UNII-75F375MT2N (English)

InChI=1S/C23H32Cl2NO6P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t18-,19-,20+,21+,23+;;;/m1.../s1

20 November 2016

Identifiers

InChI

1 reference

UNII-75F375MT2N (English)

OAIHMBRTKDWZQG-WFVUJJAZSA-L

20 November 2016

InChIKey

1 reference

UNII-75F375MT2N (English)

20 November 2016

1 reference

estramustine phosphate sodium (English)

20 November 2016

1 reference

Estramustine phosphate sodium monohydrate (English)

20 November 2016

2 references

UNII-75F375MT2N (English)

matched by identifier from

20 November 2016

InChIKey

OAIHMBRTKDWZQG-WFVUJJAZSA-L

1 reference

0 references

DSSTOX compound identifier

0 references

1 reference

estramustine phosphate sodium (English)

20 November 2016

0 references

2 references

estramustine phosphate sodium (English)

matched by identifier from

20 November 2016

InChIKey

OAIHMBRTKDWZQG-WFVUJJAZSA-L

NDF-RT ID

N0000146156

1 reference

stated in

estramustine phosphate sodium (English)

20 November 2016

1 reference

estramustine phosphate sodium (English)