Ethinyl estradiol 17-hemisuccinate

4-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid

CAS: 138219-86-0

Molecular Formula	`C24H28O5`
Molecular Weight	396.5 g/mol
LogP	3.7
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	396.19366
Heavy Atoms	29
Complexity	722.0

Chemical Identifiers

CAS Number	138219-86-0
SMILES	`CC12CCC3C(C1CCC2(C#C)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O`
InChIKey	`QAMBZAFJJRRREH-WOLONVGXSA-N`

📖 Product Overview

Ethinyl estradiol 17-hemisuccinate (CAS: 138219-86-0) is a chemical compound with molecular formula C24H28O5 and molecular weight 396.5 g/mol. Its IUPAC systematic name is 4-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid. LogP 3.7 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 396.19366 Heavy Atoms 29 Complexity 722.0 InChI Key: QAMBZAFJJRRREH-WOLONVGXSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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