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Substance Name: Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester
RN: 13013-01-9
InChIKey: IAVWMTSJZOZYCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N6-O14

Molecular Weight

  • 386.141
 
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Names and Synonyms

Synonym

  • 4,4,4-Trinitrobutyric acid 2,2,2-trinitroethyl ester

Systematic Name

  • Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester

Registry Numbers

CAS Registry Number

  • 13013-01-9

System Generated Number

  • 0013013019

Structure Descriptors

InChI

1S/C6H6N6O14/c13-4(1-2-5(7(14)15,8(16)17)9(18)19)26-3-6(10(20)21,11(22)23)12(24)25/h1-3H2

InChIKey

IAVWMTSJZOZYCU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 138mg/kg (138mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.