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Substance Name: NSC 129410
RN: 29622-48-8
UNII: 81N2ECC707
InChIKey: SDSMMBWQNDFCEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl6-N5

Molecular Weight

  • 492.063
 
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Names and Synonyms

Results Name

  • NSC 129410

Name of Substance

  • WR-99662

Synonyms

  • NSC 129410
  • UNII-81N2ECC707
  • WR 99,662

Systematic Names

  • 1,3-Propanediamine, N,N-dimethyl-N'-(4-(trichloromethyl)-6-(3-(trichloromethyl)phenyl)-1,3,5-triazin-2-yl)- (9CI)
  • s-Triazine, 2-(3-(dimethylamino)propylamino)-4-(trichloromethyl)-6-(alpha,alpha,alpha-trichloro-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 29622-48-8

FDA UNII

  • 81N2ECC707

System Generated Number

  • 0029622488

Structure Descriptors

InChI

1S/C16H17Cl6N5/c1-27(2)8-4-7-23-14-25-12(24-13(26-14)16(20,21)22)10-5-3-6-11(9-10)15(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,23,24,25,26)

InChIKey

SDSMMBWQNDFCEX-UHFFFAOYSA-N

Smiles

c1(nc(NCCCN(C)C)nc(n1)c1cc(C(Cl)(Cl)Cl)ccc1)C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 159mg/kg (159mg/kg) CARDIAC: PULSE RATE Toxicology and Applied Pharmacology. Vol. 18, Pg. 487, 1971.
mouse LD50 intraperitoneal 1350mg/kg (1350mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 487, 1971.
rat LDLo intraperitoneal 400mg/kg (400mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 487, 1971.