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Substance Name: Acetyltriethyl citrate [NF]
RN: 77-89-4
UNII: 5WBR36T90E
InChIKey: WEAPVABOECTMGR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-O8

Molecular Weight

  • 318.3198
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
  • 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester
  • Acetyl triethyl citrate
  • Acetyltriethyl citrate [NF]

Synonyms

  • 3-03-00-01105 (Beilstein Handbook Reference)
  • Acetyl triethyl citrate
  • Acetyltriethyl citrate
  • AI3-03574
  • ATEC
  • BRN 1804947
  • Citric acid, acetyl triethyl ester
  • Citroflex A 2
  • EINECS 201-066-5
  • NSC 3887
  • Tricarballylic acid, beta-acetoxytributyl ester
  • Triethyl 2-acetoxy-1,2,3-propanetricarboxylate
  • Triethyl acetylcitrate
  • Triethyl citrate, acetate
  • Triethylester kyseliny acetylcitronove
  • Triethylester kyseliny acetylcitronove [Czech]
  • UNII-5WBR36T90E

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
  • Citric acid, triethyl ester, acetate
  • Triethyl O-acetylcitrate

Registry Numbers

CAS Registry Number

  • 77-89-4

FDA UNII

  • 5WBR36T90E

System Generated Number

  • 0000077894

Structure Descriptors

InChI

1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3

InChIKey

WEAPVABOECTMGR-UHFFFAOYSA-N

Smiles

CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 8510mg/kg (8510mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 1, Pg. 283, 1959.
mouse LD50 intraperitoneal 1150mg/kg (1150mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

VASCULAR: OTHER CHANGES
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.
rat LD50 oral 7gm/kg (7000mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.