Clostilbegit

CAS Registry Number®

50-41-9
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CAS Name

Clostilbegit

Molecular Formula

C26H28ClNO.C6H8O7

Cite this Page

Clostilbegit.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-41-9 (retrieved 2024-05-29) (CAS RN: 50-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116.5-118 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=PYTMYKVIJXPNBD-UHFFFAOYSA-N

SMILES

C(=C(Cl)C1=CC=CC=C1)(C2=CC=C(OCCN(CC)CC)C=C2)C3=CC=CC=C3.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.ClC(C=1C=CC=CC1)=C(C=2C=CC=CC2)C3=CC=C(OCCN(CC)CC)C=C3

Other Names for this Substance

  • Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, citrate (1:1)
  • Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, citrate
  • MRL 41
  • Chloramiphene

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