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Substance Name: Apholate
RN: 52-46-0
UNII: MN3Q1B846W
InChIKey: PXZAWHSJYIECNQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-N9-P3

Molecular Weight

  • 387.307
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Insecticide
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Apholate

Synonyms

  • 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-
  • 1-Aziridinylphosphonitrile trimer
  • 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis(1-aziridinyl)-1,3,5,2,4,6-triazatriphosphorine
  • 2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
  • 2,2,4,4,6,6-Hexakis(1-aziridinyl)cyclotriphosphaza-1,3,5-triene
  • 5-20-01-00125 (Beilstein Handbook Reference)
  • Afolat
  • Afolat [Czech]
  • AI3-26316
  • Apholate
  • APN
  • Aziridine, 1,3,5,2,4,6-triazatriphosphorine derivative
  • BRN 1334691
  • CB 40068
  • ENT 26,316
  • Hexa(1-aziridinyl)-1,3,5-phosphotriazine
  • Hexa(1-aziridinyl)triphosphotriazine
  • Hexakis (1-aziridinyl)phosphonitrilate
  • Hexakis(aziridinyl)phosphotriazine
  • Hexakis-(1-aziridinyl)phosphonitrile
  • HSDB 6197
  • Myko 63
  • NSC 26812
  • NSC-26812
  • Olin MO. 2174
  • Pholate
  • PN6
  • SQ 8388
  • UNII-MN3Q1B846W

Systematic Names

  • 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridiny l)-2,2,4,4,6,6-hexahydro-
  • 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-

Superlist Name

  • Apholate

Registry Numbers

CAS Registry Number

  • 52-46-0

FDA UNII

  • MN3Q1B846W

System Generated Number

  • 0000052460

Structure Descriptors

InChI

1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2

InChIKey

PXZAWHSJYIECNQ-UHFFFAOYSA-N

Smiles

P=1(N2CC2)(N2CC2)N=P(N2CC2)(N2CC2)N=P(N1)(N1CC1)N1CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 179mg/kg (179mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: FOOD INTAKE (ANIMAL)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
bird - wild LD50 oral 246mg/kg (246mg/kg) BEHAVIORAL: ATAXIA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
chicken LD50 oral 246mg/kg (246mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: ATAXIA

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
domestic animals - goat/sheep LDLo intramuscular 5mg/kg (5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Annals of the New York Academy of Sciences. Vol. 111, Pg. 715, 1964.
domestic animals - goat/sheep LDLo oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Annals of the New York Academy of Sciences. Vol. 111, Pg. 715, 1964.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1341, 1986.
mouse LD50 oral 110mg/kg (110mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 14, Pg. 301, 1966.
mouse LD50 subcutaneous 25mg/kg (25mg/kg) BLOOD: CHANGES IN SPLEEN

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
quail LD50 oral 179mg/kg (179mg/kg) BEHAVIORAL: ATAXIA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Toxicology and Applied Pharmacology. Vol. 9, Pg. 279, 1966.
rabbit LD50 intravenous 2900ug/kg (2.9mg/kg) BLOOD: CHANGES IN SPLEEN

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rat LD50 oral 98mg/kg (98mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969.
rat LD50 skin 400mg/kg (400mg/kg)   Bulletin of the World Health Organization. Vol. 31, Pg. 737, 1964.
rat LD50 subcutaneous 21mg/kg (21mg/kg) BLOOD: CHANGES IN SPLEEN

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 147.5 deg C   EXP
log P (octanol-water) 2.190 (none)   EST
Atmospheric OH Rate Constant 3.86E-11 cm3/molecule-sec 25 EST

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