Basic information
- CAS
1621885-80-0- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](CCCCCCCCCOS(C)(=O)=O)Cc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
RQAWJWBLYUPKFP-VKDNIZPPSA-N- Molecular formula
- C30H46O6S
- Average molar mass
- 534.7 g/mol
- Monoisotopic mass
- 534.30151036
Names & identifiers
- Preferred name
- 4JS5Azb3MT
- IUPAC
- [(7S,8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7-(9-methylsulfonyloxynonyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- (Fulvestrant EP Impurity B)
- Molecular formula
- C30H46O6S
- Molecular weight
- 534.75
Names & synonyms
4JS5AZB3MT1621885-80-0(7beta,17beta)-7-[9-[(Methylsulfonyl)oxy]nonyl]estra-1,3,5(10)-triene-3,17-diol 17-acetate7-[9-[(Methylsulfonyl)oxy]nonyl]estra-1,3,5(10)-triene-3,17-diol 17-acetate, (7beta,17beta)-Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(methylsulfonyl)oxy]nonyl]-, 17-acetate, (7beta,17beta)-Fulvestrant Impurity 2Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(methylsulfonyl)oxy]nonyl]-, 17-acetate, (7β,17β)-(7S,8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7-(9-((methylsulfonyl)oxy)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
Database identifiers
- CAS
1621885-80-0- PubChem CID
- 176507635
- UNII
- 4JS5AZB3MT
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Physicochemical properties
- Boiling point
- 663.5 · 663.5±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.70(Predicted)
Chemistry & industry
Suppliers10 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
BOC Sciences16314854226 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
江苏万思普科技有限公司17826022701 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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