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Substance Name: 1-Penten-3-ol, 4,4-dimethyl-1-(4,5-methylenedioxy-2-nitrophenyl)-
RN: 58345-07-6
InChIKey: DJFKZMWDVNBWLK-SNAWJCMRSA-N

Molecular Formula

  • C14-H17-N-O5

Molecular Weight

  • 279.2903
 
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Names and Synonyms

Synonyms

  • 4,4-Dimethyl-1-(4,5-methylenedioxy-2-nitrophenyl)-1-penten-3-ol
  • BRN 1321238

Systematic Name

  • 1-Penten-3-ol, 4,4-dimethyl-1-(4,5-methylenedioxy-2-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 58345-07-6

System Generated Number

  • 0058345076

Structure Descriptors

InChI

1S/C14H17NO5/c1-14(2,3)13(16)5-4-9-6-11-12(20-8-19-11)7-10(9)15(17)18/h4-7,13,16H,8H2,1-3H3/b5-4+

InChIKey

DJFKZMWDVNBWLK-SNAWJCMRSA-N

Smiles

CC(C)(C)C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.