Simetride
CAS Registry Number®
154-82-5
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CAS Name
SimetrideMolecular Formula
C28H38N2O6Molecular Mass
498.61Cite this Page
Simetride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=154-82-5 (retrieved ) (CAS RN: 154-82-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
128-130 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3
InChIKey
InChIKey=IMOLVSPMDGCLMB-UHFFFAOYSA-N
SMILES
O(CC(=O)N1CCN(C(COC2=C(OC)C=C(CCC)C=C2)=O)CC1)C3=C(OC)C=C(CCC)C=C3
Canonical SMILES
O=C(N1CCN(C(=O)COC2=CC=C(C=C2OC)CCC)CC1)COC3=CC=C(C=C3OC)CCC
Other Names for this Substance
- Ethanone, 1,1′-(1,4-piperazinediyl)bis[2-(2-methoxy-4-propylphenoxy)-
- Piperazine, 1,4-bis[(2-methoxy-4-propylphenoxy)acetyl]-
- 1,1′-(1,4-Piperazinediyl)bis[2-(2-methoxy-4-propylphenoxy)ethanone]
- 1,4-Bis[(2-methoxy-4-propylphenoxy)acetyl]piperazine
- Simetride
