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Substance Name: 1,3,4-Tetradecanetricarboxylic acid, 3-hydroxy- (S-(R*,R*))-
RN: 96738-35-1
InChIKey: QFOFNCNFUGQWTO-DYVFJYSZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-O7

Molecular Weight

  • 346.417
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-(S-(R*,R*))-1,3,4-tetradecanetricarboxylic acid
  • Secospiculisporic acid

Systematic Name

  • 1,3,4-Tetradecanetricarboxylic acid, 3-hydroxy- (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 96738-35-1

System Generated Number

  • 0096738351

Structure Descriptors

InChI

1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1

InChIKey

QFOFNCNFUGQWTO-DYVFJYSZSA-N

Smiles

[C@]([C@@H](C(=O)O)CCCCCCCCCC)(C(=O)O)(CCC(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 150mg/kg (150mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #95-145049,
mouse LD50 oral > 2gm/kg (2000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #95-145049,