Estrone sodium sulfateProduct ingredient for Estrone sulfate
- Name
- Estrone sodium sulfate
- Drug Entry
- Estrone sulfate
Estrone sulfate (as estropipate) is a form of estrogen. It has several uses such as: alleviate symptoms of menopause as hormone replacement therapy, treatment some types of infertility, treatment of some conditions leading to underdevelopment of female sexual characteristics, treatment of vaginal atrophy, treatment of some types of breast cancer (particularly in men and postmenopausal women), treatment of prostate cancer and prevention of osteoporosis.
- Accession Number
- DBSALT002492 (DBSALT002565)
- Structure
Structure for Estrone sodium sulfate (DBSALT002492)
- Synonyms
- 17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate / Estrone sodium sulphate / Estrone sulfate sodium / Estrone-3-sulfate sodium salt / Oestrone-3-sulphate sodium salt / Sodium estrone 3-sulfate / Sodium estrone sulfate
- External IDs
- NSC-18313
- UNII
- 6K6FDA543A
- CAS Number
- 438-67-5
- Weight
- Average: 372.411
Monoisotopic: 372.100739147 - Chemical Formula
- C18H21NaO5S
- InChI Key
- VUCAHVBMSFIGAI-ZFINNJDLSA-M
- InChI
- InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
- IUPAC Name
- sodium (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl sulfate
- SMILES
- [Na+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS([O-])(=O)=O)C=C3
- External Links
- KEGG Drug
- D00312
- ChemSpider
- 9532
- ChEBI
- 8389
- ChEMBL
- CHEMBL2106240
- PharmGKB
- PA164754789
- Predicted Properties
Property Value Source Water Solubility 0.0045 mg/mL ALOGPS logP 2.75 ALOGPS logP 3.83 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) -1.7 Chemaxon pKa (Strongest Basic) -7.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 83.5 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 87.95 m3·mol-1 Chemaxon Polarizability 36.34 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon