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Substance Name: Efegatran sulfate [USAN]
RN: 126721-07-1
UNII: VB4VCH77JV
InChIKey: BISKEOIROPAOGY-RXQQAGQTSA-N

Classification Code

  • Antithrombotic

Molecular Formula

  • C21-H32-N6-O3.H2-O4-S

Molecular Weight

  • 514.601
 
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Names and Synonyms

Name of Substance

  • Efegatran sulfate [USAN]

Synonyms

  • Efegatran sulfate
  • L-Prolinamide, N-methyl-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-, sulfate (1:1)
  • LY 294468 sulfate
  • LY294468 sulfate
  • N-Methyl-D-phenylalanyl-N-((1S)-1-formyl-4-guanidinobutyl)-L-prolinamide sulfate (1:1)
  • UNII-VB4VCH77JV

Systematic Names

  • L-Prolinamide, N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-N-methyl-D-phenylalanyl-, (S)-, sulfate (1:1)
  • L-Prolinamide, N-methyl-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 126721-07-1

FDA UNII

  • VB4VCH77JV

Related Registry Number

  • 105806-65-3 (Parent)

System Generated Number

  • 0126721071

Molecular Formulas

Molecular Formula

  • C21-H32-N6-O3.H2-O4-S

Molecular Formula Fragments

  • C21-H32-N6-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C21H32N6O3.H2O4S/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23;1-5(2,3)4/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25);(H2,1,2,3,4)/t16-,17+,18-;/m0./s1

InChIKey

BISKEOIROPAOGY-RXQQAGQTSA-N

Smiles

OS(O)(=O)=O.N1(C([C@@H](Cc2ccccc2)NC)=O)[C@H](C(N[C@H](C=O)CCCNC(=N)N)=O)CCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1729, 1990.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1729, 1990.
rabbit LD50 intravenous 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1729, 1990.
rabbit LD50 oral > 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1729, 1990.