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Substance Name: beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-
RN: 102516-67-6
InChIKey: NXRWOGRWYCNSKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-N6-O7

Molecular Weight

  • 332.271
 
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Names and Synonyms

Synonym

  • N-(2-((5-Diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-beta-alanine

Systematic Name

  • beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-

Registry Numbers

CAS Registry Number

  • 102516-67-6

System Generated Number

  • 0102516676

Structure Descriptors

InChI

1S/C10H16N6O7/c11-12-8-9(17)2-1-4-13(15(20)21)6-7-14(16(22)23)5-3-10(18)19/h1-8H2

InChIKey

NXRWOGRWYCNSKK-UHFFFAOYSA-N

Smiles

N(CCN(CCCC(C[N+]#N)=O)[N+](=O)[O-])(CCC(=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 375mg/kg (375mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1504, 1976.