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Substance Name: Pseudourea, 2-(2-aminoethyl)-N-heptanoyl-2-thio-, hydrogen sulfate
RN: 63679-90-3
InChIKey: WHCYYCVITWCNBZ-UHFFFAOYSA-N

Molecular Formula

  • C10-H21-N3-O-S.H2-O4-S

Molecular Weight

  • 329.44
 
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Names and Synonyms

Synonyms

  • Heptanoyl-2-(2-aminoethyl)-isothiouronium sulfate
  • USAF B-107

Systematic Name

  • Pseudourea, 2-(2-aminoethyl)-N-heptanoyl-2-thio-, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 63679-90-3

System Generated Number

  • 0063679903

Molecular Formulas

Molecular Formula

  • C10-H21-N3-O-S.H2-O4-S

Molecular Formula Fragments

  • C10-H21-N3-O-S
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C10H21N3OS.H2O4S/c1-2-3-4-5-8(6-7-11)9(14)15-10(12)13;1-5(2,3)4/h8H,2-7,11H2,1H3,(H3,12,13);(H2,1,2,3,4)

InChIKey

WHCYYCVITWCNBZ-UHFFFAOYSA-N

Smiles

S(C(=O)[C@@H](CCN)CCCCC)C(=N)N.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD277-689,