Content deleted Content added
Vanished user 0x8cSXE0x6 (talk | contribs) No edit summary |
Updating {{infobox_drug}} (changes to verified and watched fields - added verified revid - updated 'ChemSpiderID_Ref', 'DrugBank_Ref', 'UNII_Ref', 'ChEMBL_Ref', 'ChEBI_Ref', 'KEGG_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'CAS_number_Ref', 'verifiedrevi... |
||
Line 1: | Line 1: | ||
{{About|a non-clinically used compound|the pharmaceutical drug|estramustine phosphate}} |
{{About|a non-clinically used compound|the pharmaceutical drug|estramustine phosphate}} |
||
{{Drugbox |
{{Drugbox |
||
| Verifiedfields = |
| Verifiedfields = changed |
||
| Watchedfields = |
| Watchedfields = changed |
||
| verifiedrevid = |
| verifiedrevid = |
||
| IUPAC_name = [(8''R'',9''S'',13''S'',14''S'',17''S'')-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 |
| IUPAC_name = [(8''R'',9''S'',13''S'',14''S'',17''S'')-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 |
||
Line 32: | Line 32: | ||
<!-- Identifiers --> |
<!-- Identifiers --> |
||
| CAS_number_Ref = |
| CAS_number_Ref = {{cascite|correct|??}} |
||
| CAS_number = 2998-57-4 |
| CAS_number = 2998-57-4 |
||
| CAS_supplemental = |
| CAS_supplemental = |
||
Line 40: | Line 40: | ||
| PubChem = 259331 |
| PubChem = 259331 |
||
| IUPHAR_ligand = |
| IUPHAR_ligand = |
||
| DrugBank_Ref = |
| DrugBank_Ref = {{drugbankcite|changed|drugbank}} |
||
| DrugBank = |
| DrugBank = |
||
| ChemSpiderID_Ref = |
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
||
| ChemSpiderID = 227635 |
| ChemSpiderID = 227635 |
||
| UNII_Ref = {{fdacite|correct|FDA}} |
|||
| UNII = 35LT29625A |
| UNII = 35LT29625A |
||
| KEGG_Ref = {{keggcite|correct|kegg}} |
|||
| KEGG = D04066 |
| KEGG = D04066 |
||
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|||
| ChEBI = 4868 |
| ChEBI = 4868 |
||
| ChEMBL_Ref = {{ebicite|correct|EBI}} |
|||
| ChEMBL = 1575 |
| ChEMBL = 1575 |
||
Line 53: | Line 57: | ||
| molecular_weight = 440.405 g/mol |
| molecular_weight = 440.405 g/mol |
||
| SMILES = C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl |
| SMILES = C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl |
||
| StdInChI_Ref = |
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
||
| StdInChI = 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 |
| StdInChI = 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 |
||
| StdInChIKey_Ref = |
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
||
| StdInChIKey = FRPJXPJMRWBBIH-RBRWEJTLSA-N |
| StdInChIKey = FRPJXPJMRWBBIH-RBRWEJTLSA-N |
||
| synonyms = Leo 275; Ro 21-8837; Estradiol 3-(bis(2-chloroethyl)carbamate) ester; Estra-1,3,5(10)-triene-3,17β-diol 3-(bis(2-chloroethyl)carbamate) ester |
| synonyms = Leo 275; Ro 21-8837; Estradiol 3-(bis(2-chloroethyl)carbamate) ester; Estra-1,3,5(10)-triene-3,17β-diol 3-(bis(2-chloroethyl)carbamate) ester |
Revision as of 23:46, 1 April 2017
Clinical data | |
---|---|
Other names | Leo 275; Ro 21-8837; Estradiol 3-(bis(2-chloroethyl)carbamate) ester; Estra-1,3,5(10)-triene-3,17β-diol 3-(bis(2-chloroethyl)carbamate) ester |
Identifiers | |
| |
CAS Number | |
PubChem CID | |
ChemSpider | |
UNII | |
KEGG | |
ChEBI | |
ChEMBL | |
CompTox Dashboard (EPA) | |
ECHA InfoCard | 100.019.161 |
Chemical and physical data | |
Formula | C23H31Cl2NO3 |
Molar mass | 440.405 g/mol g·mol−1 |
3D model (JSmol) | |
| |
| |
(what is this?) |
Estramustine (INN, USAN, BAN) is a synthetic steroidal estrogen and alkylating antineoplastic agent that was never marketed.[1][2] It is an estrogen ester – specifically, the C3 normustine ester of estradiol – and acts as a prodrug to estradiol and normustine in the body.[1][2] Estramustine phosphate, the C17β phosphate ester of estramustine, is marketed and used in the treatment of prostate cancer.[1][2]
See also
References
- ^ a b c J. Elks (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 502–. ISBN 978-1-4757-2085-3.
- ^ a b c Index Nominum 2000: International Drug Directory. Taylor & Francis. January 2000. pp. 406–. ISBN 978-3-88763-075-1.