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Substance Name: Caffeine, 8-morpholino-
RN: 30958-52-2
InChIKey: LZQBJEYAJKIENE-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N5-O3

Molecular Weight

  • 279.298
 
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Names and Synonyms

Synonym

  • 8-Morpholino-caffeine

Systematic Name

  • Caffeine, 8-morpholino-

Registry Numbers

CAS Registry Number

  • 30958-52-2

System Generated Number

  • 0030958522

Structure Descriptors

InChI

1S/C12H17N5O3/c1-14-8-9(15(2)12(19)16(3)10(8)18)13-11(14)17-4-6-20-7-5-17/h4-7H2,1-3H3

InChIKey

LZQBJEYAJKIENE-UHFFFAOYSA-N

Smiles

c12c(nc(n1C)N1CCOCC1)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04377,