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Substance Name: Guanidine, (2-benzothiazolyl)-
RN: 2582-07-2
InChIKey: QMHWARSFUCGBJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-N4-S

Molecular Weight

  • 192.245
 
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Names and Synonyms

Synonyms

  • (2-Benzothiazolyl)-guanidine
  • AI3-52523
  • Benzothiazole guanidine
  • EINECS 219-955-1
  • Guanidine, (2-benzothiazolyl)-
  • NSC 37475

Systematic Names

  • Benzothiazol-2-ylguanidine
  • Guanidine, (2-benzothiazolyl)-

Registry Numbers

CAS Registry Number

  • 2582-07-2

System Generated Number

  • 0002582072

Structure Descriptors

InChI

1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)

InChIKey

QMHWARSFUCGBJK-UHFFFAOYSA-N

Smiles

c12c(sc(n1)NC(N)=N)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02533,
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 41, Pg. 127, 1931.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg) ENDOCRINE: HYPERGLYCEMIA

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 17, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.810 (none)   EST
Water Solubility 696 mg/L 20 EXP
Atmospheric OH Rate Constant 1.74E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.