trisodium bis[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethylazanidyl]phosphinoth ioyl-[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethyl]azanide

Modify Date: 2025-09-29 04:00:10

trisodium bis[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethylazanidyl]phosphinoth ioyl-[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethyl]azanide structure	Common Name	trisodium bis[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethylazanidyl]phosphinoth ioyl-[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethyl]azanide
	CAS Number	84295-06-7	Molecular Weight	591.42400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₈H₂₁N₉Na₃O₆PS	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	trisodium,bis[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylazanidyl]phosphinothioyl-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethyl]azanide

Molecular Formula	C₁₈H₂₁N₉Na₃O₆PS
Molecular Weight	591.42400
Exact Mass	591.07700
PSA	245.85000
InChIKey	YFYLTCSWBAJVRJ-UHFFFAOYSA-K
SMILES	O=c1cc[nH]c(=O)n1CC[N-]P(=S)([N-]CCn1c(=O)cc[nH]c1=O)[N-]CCn1c(=O)cc[nH]c1=O.[Na+].[Na+].[Na+]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TG4630000

CHEMICAL NAME :: Phosphorothioic triamide, N,N',N''-tris(2-(2,6-dioxo-1,2,3,6-tetrahydro-1-pyrim idinyl) ethyl)-, trisodium salt

CAS REGISTRY NUMBER :: 84295-06-7

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H21-N9-O6-P-S.3Na

MOLECULAR WEIGHT :: 591.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 605 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 16(10),33,1982

Thio-TEPA structure

Thio-TEPA

CAS#:52-24-4

Uracil structure

Uracil

CAS#:66-22-8

~66%

trisodium bis[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethylazanidyl]phosphinoth ioyl-[2-(2,6-dioxo-3H-pyrimidin-1-yl)ethyl]azanide Structure

trisodium bis[2...

CAS#:84295-06-7

Literature: Besyadetskaya, E. I.; Semenyuk, T. N.; Potopal'skii, A. I.; Ivasivka, S. V.; Savchuk, L. F.; et al. Pharmaceutical Chemistry Journal, 1982 , vol. 16, # 10 p. 744 - 750 Khimiko-Farmatsevticheskii Zhurnal, 1982 , vol. 16, # 10 p. 1185 - 1191

Precursor 2
CAS#:52-24-4 Thio-TEPA CAS#:66-22-8 Uracil
DownStream 1
CAS#:66-22-8 Uracil

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