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Substance Name: Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester
RN: 101952-45-8
InChIKey: NHHZLDPXOJULLC-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O5

Molecular Weight

  • 255.268
 
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Names and Synonyms

Synonym

  • 3-((5,5-Dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)acrylic acid ethyl ester

Systematic Name

  • Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-45-8

System Generated Number

  • 0101952458

Structure Descriptors

InChI

1S/C12H17NO5/c1-4-17-10(15)6-5-9(14)13-8-7-12(2,3)18-11(8)16/h5-6,8H,4,7H2,1-3H3,(H,13,14)/b6-5+

InChIKey

NHHZLDPXOJULLC-AATRIKPKSA-N

Smiles

C1([C@@H](CC(C)(C)O1)NC(\C=C\C(OCC)=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 188, 1981.
mouse LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 188, 1981.