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Substance Name: 2,5-Piperidinedicarboxylic acid, 1-(3-(acetylthio)-1-oxopropyl)-, cis-
RN: 94769-28-5
InChIKey: DOCRUVNONSPWGF-IUCAKERBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O6-S

Molecular Weight

  • 303.3333
 
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Names and Synonyms

Synonym

  • cis-1-(3-(Acetylthio)-1-oxopropyl)-2,5-piperidinedicarboxylic acid

Systematic Name

  • 2,5-Piperidinedicarboxylic acid, 1-(3-(acetylthio)-1-oxopropyl)-, cis-

Registry Numbers

CAS Registry Number

  • 94769-28-5

System Generated Number

  • 0094769285

Structure Descriptors

InChI

1S/C12H17NO6S/c1-7(14)20-5-4-10(15)13-6-8(11(16)17)2-3-9(13)12(18)19/h8-9H,2-6H2,1H3,(H,16,17)(H,18,19)/t8-,9-/m0/s1

InChIKey

DOCRUVNONSPWGF-IUCAKERBSA-N

Smiles

N1([C@@H](CC[C@@H](C1)C(=O)O)C(=O)O)C(CCSC(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 679, 1984.