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Substance Name: Bromouracil
RN: 51-20-7
UNII: 4HK400G5UO
InChIKey: LQLQRFGHAALLLE-UHFFFAOYSA-N
Note
- 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.
Molecular Formula
- C4-H3-Br-N2-O2
Molecular Weight
- 190.9837
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- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Antimetabolites
- Mutagens
- Mutation Data
- Noxae
- Reproductive Effect
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Names and Synonyms
Name of Substance
- Bromouracil
MeSH Heading
- Bromouracil
Synonyms
- 5-Bromo-2,4(1H,3H)-pyrimidinedione
- 5-Bromouracil
- 5-BrU
- 5-BU
- AI3-25471
- Bromouracil
- EINECS 200-084-0
- HSDB 7495
- NSC 19940
- UNII-4HK400G5UO
Systematic Names
- 2,4(1H,3H)-Pyrimidinedione, 5-bromo-
- 5-Bromouracil
- Uracil, 5-bromo-
- Uracil, 5-bromo- (VAN) (8CI)
Registry Numbers
CAS Registry Number
- 51-20-7
FDA UNII
- 4HK400G5UO
Other Registry Number
- 5909-23-9
System Generated Number
- 0000051207
Structure Descriptors
InChI
InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)InChIKey
LQLQRFGHAALLLE-UHFFFAOYSA-NSmiles
BrC1=CNC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1400mg/kg (1400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Proceedings of the Society for Experimental Biology and Medicine. Vol. 93, Pg. 124, 1956. |
| rat | LD50 | intraperitoneal | 1700mg/kg (1700mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Proceedings of the Society for Experimental Biology and Medicine. Vol. 93, Pg. 124, 1956. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 310 | deg C | EXP | |
| log P (octanol-water) | -0.21 | (none) | EXP | |
| Water Solubility | 815 | mg/L | EXP | |
| Vapor Pressure | 2.27E-07 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.73E-11 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 6.74E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.