loading...| Preferred Name |
estramustine phosphate |
|
| Synonyms |
(17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate Estracyt |
|
| Definitions |
A steroid phosphate which is the 17-O-phospho derivative of estramustine. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68643 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1066 PMID:22323054 PMID:22214417 Reaxys:10313873 CAS:4891-15-0 PMID:21706123 |
|
| definition |
A steroid phosphate which is the 17-O-phospho derivative of estramustine. |
|
| formula |
C23H32Cl2NO6P |
|
| has functional parent | ||
| has_exact_synonym |
(17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Estracyt |
|
| id |
CHEBI:68643 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H32Cl2NO6P/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)/t18-,19-,20+,21+,23+/m1/s1 |
|
| inchikey |
ADFOJJHRTBFFOF-RBRWEJTLSA-N |
|
| is conjugate acid of | ||
| label |
estramustine phosphate |
|
| mass |
520.38300 |
|
| monoisotopicmass |
519.13443 |
|
| notation |
CHEBI:68643 |
|
| prefLabel |
estramustine phosphate |
|
| smiles |
[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP(O)(O)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36944 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36944 |