Oxeladin citrate
CAS Registry Number®
52432-72-1
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CAS Name
Oxeladin citrateMolecular Formula
C20H33NO3.C6H8O7Cite this Page
Oxeladin citrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52432-72-1 (retrieved ) (CAS RN: 52432-72-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
90-91 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
InChIKey=KVKJFNUGVOFNGU-UHFFFAOYSA-N
SMILES
C(C(OCCOCCN(CC)CC)=O)(CC)(CC)C1=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(OCCOCCN(CC)CC)C(C=1C=CC=CC1)(CC)CC
Other Names for this Substance
- Benzeneacetic acid, α,α-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- Butyric acid, 2-ethyl-2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate
- Oxeladin citrate
- Oxeladine citrate
- Pectamol
Deleted or Replaced CAS Registry Numbers
16485-39-5
