loading...| Preferred Name |
estramustine |
|
| Synonyms |
estramustina estramustinum (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate (1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl N,N-bis(2-chloroethyl)carbamate Estramustine C23H31Cl2NO3 estramustine 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate) Estradiol 3-(N,N-bis(2-chloroethyl)carbamate) |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4868 |
|
| activates | ||
| AHFScode |
10:00.00 |
|
| ATCCode |
L01XX11 |
|
| blocks | ||
| CASRN |
2998-57-4 |
|
| DBBrand |
emcyt estracyt |
|
| DBname |
estramustine |
|
| DBSynonym |
estramustinum [inn-latin] estramustine sodium phosphate estramustin sodium phosphate estramustina [inn-spanish] |
|
| Definition |
A 17beta-hydroxy steroid that has formula C23H31Cl2NO3. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000470 http://purl.obolibrary.org/obo/OAE_0001001 http://purl.obolibrary.org/obo/OAE_0000374 |
|
| has pharmacological target |
http://purl.obolibrary.org/obo/dinto_2830 http://purl.obolibrary.org/obo/dinto_0189 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| InChI |
InChI=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 |
|
| InChIKey |
InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N |
|
| inhibits | ||
| is metabolised by | ||
| label |
estramustine |
|
| may interact with |
http://purl.obolibrary.org/obo/dinto_DB00258 |
|
| prefixIRI |
obo2:CHEBI_4868 |
|
| prefLabel |
estramustine |
|
| related with | ||
| SMILES |
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] |
|
| Synonym |
estramustina estramustinum (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate (1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl N,N-bis(2-chloroethyl)carbamate Estramustine C23H31Cl2NO3 estramustine 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate) Estradiol 3-(N,N-bis(2-chloroethyl)carbamate) |
|
| xref |
Patent:BE646319 Patent:US3299104 Wikipedia:http://en.wikipedia.org/wiki/Estramustine CASRN:2998-57-4 Wikipedia:Estramustine LIPID MAPS:LMST02010038 Drugs Product Database (DPD):2063794 Beilstein:5637599 KEGG DRUG:D04066 RxList:http://www.rxlist.com/cgi/generic2/estramustine.htm National Drug Code Directory:0013-0132-02 KEGG COMPOUND:C11228 BindingDB:50025102 ChEMBL:553536 Drugs.com:http://www.drugs.com/cdi/estramustine.html DrugBank:DB01196 PharmGKB:PA449507 ChEBI:4868 |
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| subClassOf |