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Substance Name: Barbituric acid, 5,5'-(1,3-pentadien-1-yl-5-ylidene)di-
RN: 63811-39-2
InChIKey: CTSQFCOACUPEPW-ZPUQHVIOSA-N

Molecular Formula

  • C13-H10-N4-O6

Molecular Weight

  • 318.244
 
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Names and Synonyms

Synonyms

  • 4-26-00-02701 (Beilstein Handbook Reference)
  • 5,5'-(1,3-Pentadien-1-yl-5-ylidene)dibarbituric acid
  • BRN 0343925
  • Pentamethinedibarbituric acid

Systematic Name

  • Barbituric acid, 5,5'-(1,3-pentadien-1-yl-5-ylidene)di-

Registry Numbers

CAS Registry Number

  • 63811-39-2

Other Registry Number

  • 26134-70-3

System Generated Number

  • 0063811392

Structure Descriptors

InChI

1S/C13H10N4O6/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23)/b3-1+,4-2+

InChIKey

CTSQFCOACUPEPW-ZPUQHVIOSA-N

Smiles

C1(\C(NC(NC1=O)=O)=O)=C/C=C/C=C/C1C(NC(NC1=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00635,