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Substance Name: Cetiedil citrate [USAN]
RN: 16286-69-4
UNII: IE65P4OE02
InChIKey: XMGJGSKRRWXOIF-UHFFFAOYSA-N

Classification Code

  • Vasodilator (Peripheral)

Molecular Formula

  • C20-H31-N-O2-S.C6-H8-O7

Molecular Weight

  • 541.658
 
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Names and Synonyms

Name of Substance

  • Cetiedil citrate [USAN]

Synonyms

  • 2-(Hexahydro-1H-azepin-1-yl)ethyl alpha-cyclohexyl-3-thiopheneacetate citrate (1:1)
  • Celsis
  • Cetiedil citrate
  • EINECS 240-381-2
  • Stratene
  • UNII-IE65P4OE02
  • Vasocet

Systematic Names

  • 2-(Hexahydro-1H-azepin-1-yl)ethyl alpha-cyclohexylthiophene-3-acetate, compound with citric acid (1:1)
  • 3-Thiopheneacetic acid, alpha-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 16286-69-4

FDA UNII

  • IE65P4OE02

Related Registry Number

  • 14176-10-4 (Parent)

System Generated Number

  • 0016286694

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2-S.C6-H8-O7

Molecular Formula Fragments

  • C20-H31-N-O2-S
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

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

XMGJGSKRRWXOIF-UHFFFAOYSA-N

Smiles

s1ccc(c1)[C@@H](C(OCCN1CCCCCC1)=O)C1CCCCC1.C(CC(C(=O)O)(O)CC(O)=O)(O)=O