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Substance Name: Butyric acid, 4,4,4-trinitro-, tert-butyl ester
RN: 13013-00-8
InChIKey: GSUBLWBKEJUNBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H13-N3-O8

Molecular Weight

  • 279.204
 
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Names and Synonyms

Synonym

  • 4,4,4-Trinitrobutyric acid tert-butyl ester

Systematic Name

  • Butyric acid, 4,4,4-trinitro-, tert-butyl ester

Registry Numbers

CAS Registry Number

  • 13013-00-8

System Generated Number

  • 0013013008

Structure Descriptors

InChI

1S/C8H13N3O8/c1-7(2,3)19-6(12)4-5-8(9(13)14,10(15)16)11(17)18/h4-5H2,1-3H3

InChIKey

GSUBLWBKEJUNBQ-UHFFFAOYSA-N

Smiles

C(CCC(OC(C)(C)C)=O)([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 600mg/kg (600mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.