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Substance Name: Hexetylamine citrate
RN: 14601-95-7
UNII: 6G6IZ5GV2R
InChIKey: FSDBTUMIKFVKQC-UHFFFAOYSA-N

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Weight

  • 461.548
 
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Names and Synonyms

Results Name

  • Hexetylamine citrate

Name of Substance

  • Hexetylamine citrate

Synonyms

  • 2-(Diethylamino)ethyl alpha-ethylcyclohexaneacetate 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • 2-Diethylaminoethyl alpha-cyclohexylbutyrate citrate
  • DL-2-Diethylaminoethyl-(2-cyclohexyl-butyrat)-dihydrogencitrat
  • Hexetylamine citrate
  • Hexetylaminil citras
  • NSC 81271
  • UNII-6G6IZ5GV2R

Systematic Names

  • Cyclohexaneacetic acid, alpha-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Cyclohexaneacetic acid, alpha-ethyl-, 2-(diethylaminoethyl) ester, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 14601-95-7

FDA UNII

  • 6G6IZ5GV2R

System Generated Number

  • 0014601957

Molecular Formulas

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C16-H31-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H31NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-15H,4-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

FSDBTUMIKFVKQC-UHFFFAOYSA-N

Smiles

C1(CCCCC1)[C@@H](C(OCCN(CC)CC)=O)CC.C(C(CC(=O)O)(C(=O)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01787,