Estradiol 6-(O-carboxymethyl)oxime
CAS Registry Number®
35048-47-6
CAS Name
Estradiol 6-(O-carboxymethyl)oximeMolecular Formula
C20H25NO5Molecular Mass
359.42Cite this Page
Estradiol 6-(O-carboxymethyl)oxime. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=35048-47-6 (retrieved ) (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