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Substance Name: Triazinate
RN: 41191-04-2
UNII: DD99Y262WC
InChIKey: HKPVIFTWECXNPY-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Human Data
  • Mutation Data

Molecular Formula

  • C21-H25-Cl-N6-O2.C2-H6-O3-S

Molecular Weight

  • 539.054
 
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Names and Synonyms

Name of Substance

  • Triazinate

Synonyms

  • BAF
  • Baker's Antifol
  • Baker's Antifol soluble
  • Baker's Antifolante
  • NSC 139105
  • Triazinate
  • TZT
  • UNII-DD99Y262WC

Systematic Names

  • Ethanesulfonic acid, compd. with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylbenzamide (1:1) (9CI)
  • Ethanesulfonic acid, compd.with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylben zamide (1:1)
  • m-Toluamide, alpha-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazine-1(2H)-yl)phenoxy)-N,N-dimethyl-, ethanesulfonate

Registry Numbers

CAS Registry Number

  • 41191-04-2

FDA UNII

  • DD99Y262WC

System Generated Number

  • 0041191042

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N6-O2.C2-H6-O3-S

Molecular Formula Fragments

  • C2-H6-O3-S
  • C21-H25-Cl-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)

InChIKey

HKPVIFTWECXNPY-UHFFFAOYSA-N

Smiles

N1(c2cc(c(OCc3cc(ccc3)C(N(C)C)=O)cc2)Cl)C(N=C(N)N=C1N)(C)C.CCS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 40mg/kg (40mg/kg)   National Technical Information Service. Vol. PB220-397,
dog LDLo intravenous 40mg/kg (40mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. PB220-397,
human TDLo intravenous 8mg/kg (8mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE
Cancer Research. Vol. 36, Pg. 48, 1976.
human TDLo intravenous 20mg/kg (20mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Cancer Vol. 40, Pg. 9, 1977.
human TDLo intravenous 24mg/kg/5D (24mg/kg) BLOOD: THROMBOCYTOPENIA

BLOOD: LEUKOPENIA

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE
Cancer Vol. 38, Pg. 690, 1976.
mouse LD50 intraperitoneal 58600ug/kg (58.6mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
women TDLo intravenous 1355mg/kg/13W (1355mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Archives of Dermatology. Vol. 121, Pg. 232, 1985.