Estradiol 6-(O-carboxymethyl)oxime

CAS Registry Number®

35048-47-6
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CAS Name

Estradiol 6-(O-carboxymethyl)oxime

Molecular Formula

C20H25NO5

Molecular Mass

359.42

Cite this Page

Estradiol 6-(O-carboxymethyl)oxime.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=35048-47-6 (retrieved 2024-05-03) (CAS RN: 35048-47-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/t13-,14-,16+,18+,20+/m1/s1

InChIKey

InChIKey=AWARIMYXKAIIGO-XQRBHQRSSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(C(=NOCC(O)=O)C3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(O)CON=C1C2=CC(O)=CC=C2C3CCC4(C)C(O)CCC4C3C1

Other Names for this Substance

  • Acetic acid, 2-[[[(17β)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino]oxy]-
  • Acetic acid, [[[(17β)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino]oxy]-
  • Estrane, acetic acid deriv.
  • 2-[[[(17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino]oxy]acetic acid
  • Estrone 6-(O-carboxymethyl)oxime

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