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Substance Name: 4-Hydroxylomustine
RN: 56239-24-8
InChIKey: BTNKSMIZKSHDNT-UHFFFAOYSA-N
Classification Codes
- Drug / Therapeutic Agent
- Mutation Data
Molecular Formula
- C9-H16-Cl-N3-O3
Molecular Weight
- 249.6964
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Hydroxylomustine
Synonyms
- 1-(2-Chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitrosourea
- N-(2-Chloroethyl)-N'-(trans-4-hydroxycyclohexyl)-N-nitrosourea
- NSC-239717
- trans-4-Hydroxy-ccnu
- trans-4-OH CCNU
Systematic Names
- Urea, 1-(2-chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitroso-
- Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, trans- (9CI)
Registry Numbers
CAS Registry Number
- 56239-24-8
System Generated Number
- 0056239248
Structure Descriptors
InChI
1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)InChIKey
BTNKSMIZKSHDNT-UHFFFAOYSA-NSmiles
C1CC(CCC1NC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD10 | intravenous | 12mg/kg (12mg/kg) | Antibiotics and Chemotherapy Vol. 23, Pg. 64, 1978. | |
mouse | LD50 | intraperitoneal | 52420ug/kg (52.42mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
mouse | LDLo | intrapleural | 35mg/kg (35mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 634, 1975. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 1 | (none) | EXP | |
Water Solubility | 3320 | mg/L | 25 | EST |
Vapor Pressure | 1.64E-08 | mm Hg | 25 | EST |
Henry's Law Constant | 6.76E-15 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.09E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.