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Substance Name: Synthanecine A-bis(N-ethylcarbamate)
RN: 32766-79-3
InChIKey: NZCFZZYGXWNZAO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H23-N3-O4

Molecular Weight

  • 285.342
 
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Names and Synonyms

Name of Substance

  • Synthanecine A-bis(N-ethylcarbamate)

Synonyms

  • 5-21-04-00377 (Beilstein Handbook Reference)
  • BRN 1490346
  • Carbamic acid, ethyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester
  • Synthanecine A bis-N-ethylcarbamate

Systematic Names

  • 3-Pyrroline-2,3-dimethanol, 1-methyl-, bisethylcarbamate
  • Carbamic acid, ethyl-, (2,5-dihydro-1-methyl-1H-pyrrole-2,3-diyl)bis(methylene) ester

Registry Numbers

CAS Registry Number

  • 32766-79-3

System Generated Number

  • 0032766793

Structure Descriptors

InChI

1S/C13H23N3O4/c1-4-14-12(17)19-8-10-6-7-16(3)11(10)9-20-13(18)15-5-2/h6,11H,4-5,7-9H2,1-3H3,(H,14,17)(H,15,18)

InChIKey

NZCFZZYGXWNZAO-UHFFFAOYSA-N

Smiles

C=1([C@@H]([N@@](CC1)C)COC(NCC)=O)COC(NCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 42mg/kg (42mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" Chemico-Biological Interactions. Vol. 51, Pg. 201, 1984.