Cetiedil citrate

CAS Registry Number®

16286-69-4

CAS Name

Cetiedil citrate

Molecular Formula

C20H31NO2S.C6H8O7

Cite this Page

Cetiedil citrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16286-69-4 (retrieved 2024-11-23) (CAS RN: 16286-69-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=XMGJGSKRRWXOIF-UHFFFAOYSA-N

SMILES

C(C(OCCN1CCCCCC1)=O)(C=2C=CSC2)C3CCCCC3.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(OCCN1CCCCCC1)C(C2=CSC=C2)C3CCCCC3

Other Names for this Substance

  • 3-Thiopheneacetic acid, α-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • 3-Thiopheneacetic acid, α-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, citrate (1:1)
  • 1H-Azepine-1-ethanol, hexahydro-, α-cyclohexyl-3-thiopheneacetate (ester), citrate (1:1)
  • Cetiedil citrate
  • 2-(Hexahydro-1H-azepin-1-yl)ethyl α-cyclohexyl-3-thiopheneacetate citrate salt

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Deleted or Replaced CAS Registry Numbers

51536-28-8

CAS INSIGHTSTM
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