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Substance Name: 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea
RN: 13909-02-9
UNII: AZW59V4Q3B
InChIKey: KHWIRCOLWPNBJP-UHFFFAOYSA-N

Classification Codes

  • Alkylating Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Drug / Therapeutic Agent
  • Mutation Data
  • Noxae

Molecular Formula

  • C8-H11-Cl-N4-O4

Molecular Weight

  • 262.6519
 
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Names and Synonyms

Name of Substance

  • 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea

Synonyms

  • 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
  • AI3-52898
  • BRN 0431046
  • N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea
  • NSC 95466
  • NSC-95,466
  • PCNU
  • UNII-AZW59V4Q3B
  • Urea, 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-

Systematic Names

  • Urea, 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-
  • Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso- (9CI)

Registry Numbers

CAS Registry Number

  • 13909-02-9

FDA UNII

  • AZW59V4Q3B

System Generated Number

  • 0013909029

Structure Descriptors

InChI

1S/C8H11ClN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)

InChIKey

KHWIRCOLWPNBJP-UHFFFAOYSA-N

Smiles

C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 3mg/kg (3mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. PB282-250,
monkey LDLo intravenous 10mg/kg (10mg/kg)   National Technical Information Service. Vol. PB282-250,
mouse LD50 intraperitoneal 15210ug/kg (15.21mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 22mg/kg (22mg/kg)   National Technical Information Service. Vol. PB282-250,
mouse LD50 oral 35700ug/kg (35.7mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. PB282-250,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.37 (none)   EXP
Water Solubility 9710 mg/L 25 EST
Vapor Pressure 6.73E-12 mm Hg 25 EST
Henry's Law Constant 5.85E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.07E-11 cm3/molecule-sec 25 EST

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