Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cellocidin
RN: 543-21-5
UNII: 1K327HA41T
InChIKey: JBTGHKUTYAMZEZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C4-H4-N2-O2

Molecular Weight

  • 112.088
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Cellocidin

Synonyms

  • 2-Butynediamide
  • 4-02-00-02295 (Beilstein Handbook Reference)
  • Acetylendicarbonsaeureamid
  • Acetylendicarbonsaeureamid [German]
  • Acetylene dicarboxamide
  • Acetylenedicarboxamide
  • Acetylenedicarboxylic acid diamide
  • Aquamycin
  • BRN 1756134
  • Cellocidin
  • Lenamycin
  • NSC 38643
  • NSC 65381
  • Renamycin
  • UNII-1K327HA41T

Systematic Names

  • 2-Butynediamide
  • Acetylenedicarboxamide

Registry Numbers

CAS Registry Number

  • 543-21-5

FDA UNII

  • 1K327HA41T

Other Registry Number

  • 102489-37-2

Related Registry Number

  • 73663-83-9 (hemihydrate)

System Generated Number

  • 0000543215

Structure Descriptors

InChI

1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)

InChIKey

JBTGHKUTYAMZEZ-UHFFFAOYSA-N

Smiles

C(C#CC(N)=O)(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg)   Journal of Antibiotics, Series A. Vol. 11, Pg. 81, 1958.
mouse LD50 oral 89200ug/kg (89.2mg/kg)   Japan Pesticide Information. Vol. (1), Pg. 15, 1969.
mouse LD50 skin 667mg/kg (667mg/kg)   Japan Pesticide Information. Vol. (1), Pg. 15, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 217 dec deg C   EXP
log P (octanol-water) -3.380 (none)   EST
Atmospheric OH Rate Constant 7.31E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.