Neidio i'r cynnwys

estradiol benzoate

Ni chefnogir cynnwys y dudalen mewn ieithoedd eraill.
Creu erthygl

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chemical compound

Adnoddau allanol

Rhif Cofrestru CAS
50-50-0[1][2]
Reaxys registry number
3107526[3]
PubChem CID
222757[4][5]
DSSTOX compound identifier
DTXCID902998
UniChem compound ID
315550[6]
dynodwr KEGG
C13444[3]
D01953[3]
NSC number
9566
757881
OpenAlex ID
C2778506572[7]
ChEMBL ID
CHEMBL282575[8]
Nikkaji ID
J4.439C
InChIKey
UYIFTLBWAOGQBI-BZDYCCQFSA-N[4][9]
Dynodwr Drugbank (Alberta)
DB13953[5]
ChEBI ID
77006[8][10]

mapping relation type: exact match

DSSTox substance ID
DTXSID9022998[11][5]
J-GLOBAL ID
200907079469066954
SureChEMBL ID
SCHEMBL174896[12][5]
AICS Chemical ID (BEING DELETED)
404
dynodwr Microsoft Academic
2778506572
ECHA Substance Infocard ID
100.000.040[13]
dynodwr Freebase
/m/0jwzjnm
ChemSpider ID
193412[14]
EC number
200-043-7[1]
InChI
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1[4]
DrugCentral ID
1058[6]
dynodwr MeSH
C074283[15]
RxNorm ID
60661[1]
Probes And Drugs ID
PD012021
UNII
1S4CJB5ZGN[1][5]

enghraifft o'r canlynol

math o endid cemegol

isddosbarth o'r canlynol

benzoic acid ester

adeiledd gemegol

màs

376.203845±0 uned Dalton[16]

stereoisomer of

benzoic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester[12][17]
isoestradiol 3-benzoate[12][17]
α-estradiol 3-benzoate[17]

fformwla gemegol

C₂₅H₂₈O₃[4]

SMILES

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5[4]

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5[4]

World Health Organisation international non-proprietary name

estradiol benzoate[3]

rôl y pwnc

contraceptive agents[18]

categori Comin

Estradiol benzoate

Cyfeiriadau

  1. ↑ 1.0 1.1 1.2 1.3 Global Substance Registration System, 19 Tachwedd 2016, Saesneg, estradiol benzoate, 1S4CJB5ZGN
  2. ↑ CAS Common Chemistry, 7 Ebrill 2021, https://commonchemistry.cas.org/detail?cas_rn=50-50-0, UYIFTLBWAOGQBI-BZDYCCQFSA-N
  3. ↑ 3.0 3.1 3.2 3.3 ChEBI, 8 Hydref 2016, Saesneg, 17beta-estradiol 3-benzoate, 77006
  4. ↑ 4.0 4.1 4.2 4.3 4.4 4.5 PubChem, 19 Tachwedd 2016, Saesneg, 222757, estradiol benzoate
  5. ↑ 5.0 5.1 5.2 5.3 5.4 UYIFTLBWAOGQBI-BZDYCCQFSA-N, InChIKey
  6. ↑ 6.0 6.1 UniChem
  7. ↑ OpenAlex, 26 Ionawr 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
  8. ↑ 8.0 8.1 ChEMBL, 19 Tachwedd 2016, Saesneg, ESTRADIOL BENZOATE, CHEMBL282575
  9. ↑ ChEBI release 2020-09-01
  10. ↑ International Chemical Identifier, InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
  11. ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  12. ↑ 12.0 12.1 12.2 inferred from InChIKey
  13. ↑ ECHA Substance Infocard database, 27 Rhagfyr 2018, 100.000.040, Estradiol benzoate, CAS no.: 50-50-0
  14. ↑ ChemSpider, 19 Tachwedd 2016, Saesneg, 193412, 17beta-estradiol 3-benzoate
  15. ↑ Mesh ID, 14 Mawrth 2018, C074283
  16. ↑ PubChem, 8 Hydref 2016, Saesneg, 222757, estradiol benzoate
  17. ↑ 17.0 17.1 17.2 inferred from InChI
  18. ↑ Mesh ID, 15 Mawrth 2018, C074283
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