Ethynylestradiol 3-dimethylaminopropionate

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

CAS: 60257-22-9

Molecular Formula	`C25H33NO3`
Molecular Weight	395.5 g/mol
LogP	3.7
Topological Polar Surface Area	49.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	395.24603
Heavy Atoms	29
Complexity	681.0

Chemical Identifiers

CAS Number	60257-22-9
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C`
InChIKey	`FNTKWYIYCGWRSJ-BRPWVORNSA-N`

📖 Product Overview

Ethynylestradiol 3-dimethylaminopropionate (CAS: 60257-22-9) is a chemical compound with molecular formula C25H33NO3 and molecular weight 395.5 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 3-(dimethylamino)propanoate. LogP 3.7 Topological Polar Surface Area 49.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 395.24603 Heavy Atoms 29 Complexity 681.0 InChI Key: FNTKWYIYCGWRSJ-BRPWVORNSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C.

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