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Substance Name: Adenine [USP:JAN]
RN: 73-24-5
UNII: JAC85A2161
InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N
Note
- A purine base and a fundamental unit of ADENINE NUCLEOTIDES.
Molecular Formula
- C5-H5-N5
Molecular Weight
- 135.1295
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Classification Codes
- Agricultural Chemical
- Antiviral (COVID-19)
- Growth Regulator / Fertilizer
- Mutation Data
- Natural Product
- Reproductive Effect
- Vitamin
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Names and Synonyms
Name of Substance
- Adenine
- Adenine [USP:JAN]
MeSH Heading
- Adenine
Synonyms
- 1,6-Dihydro-6-iminopurine
- 1H-Purin-6-amine
- 1H-Purine, 6-amino
- 3,6-Dihydro-6-iminopurine
- 6-Amino-1H-purine
- 6-Amino-3H-purine
- 6-Amino-7H-purine
- 6-Amino-9H-purine
- 6-Aminopurine
- 9H-Purine, 1,6-dihydro-6-imino-
- ADE
- Adenin
- Adenine
- Adeninimine
- AI3-50679
- CCRIS 2556
- EINECS 200-796-1
- Leuco-4
- NSC 14666
- Purine, 6-amino-
- UNII-JAC85A2161
- USAF CB-18
- Vitamin B4
Systematic Names
- 1H-Purin-6-amine
- 9H-Purin-6-amine
- Adenine
Registry Numbers
CAS Registry Number
- 73-24-5
FDA UNII
- JAC85A2161
Other Registry Numbers
- 1000264-10-7
- 1233216-08-4
- 22051-90-7
- 42911-33-1
- 42911-34-2
- 520-75-2
- 66224-65-5
- 71660-29-2
- 71660-30-5
System Generated Number
- 0000073245
Structure Descriptors
InChI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)InChIKey
GFFGJBXGBJISGV-UHFFFAOYSA-NSmiles
Nc1ncnc2nc[nH]c12Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | > 30mg/kg (30mg/kg) | Drugs in Japan Vol. 6, Pg. 20, 1982. | |
| mouse | LD50 | oral | 783mg/kg (783mg/kg) | Drugs in Japan Vol. 6, Pg. 19, 1982. | |
| mouse | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | Annals of the New York Academy of Sciences. Vol. 60, Pg. 251, 1954. | |
| rat | LD50 | intraperitoneal | 198mg/kg (198mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 20, 1952. |
| rat | LD50 | oral | 227mg/kg (227mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Toxicology and Applied Pharmacology. Vol. 47, Pg. 229, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 360 dec | deg C | EXP | |
| pKa Dissociation Constant | 4.15 | (none) | 25 | EXP |
| log P (octanol-water) | -0.09 | (none) | EXP | |
| Water Solubility | 1030 | mg/L | 25 | EXP |
| Vapor Pressure | 8.38E-07 | mm Hg | 25 | EST |
| Henry's Law Constant | 7.02E-14 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.00E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.