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Substance Name: 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one
RN: 4791-34-8
UNII: 29H5UXZ2VK
InChIKey: KBRBLIPQXNCIFS-UHFFFAOYSA-N
Molecular Formula
- C8-H10-N4-O-S2
Molecular Weight
- 242.326
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Names and Synonyms
Name of Substance
- 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one
Synonyms
- 6-Thio-8-methylthiotheophylline
- BRN 1125484
- NSC 95857
- Theophylline, (8-methylthio)-6-thio-
- UNII-29H5UXZ2VK
- Uric acid, 1,3-dimethyl-8-methylthio-6-thio-
Systematic Name
- Theophylline, 8-methylthio-6-thio-
Registry Numbers
CAS Registry Number
- 4791-34-8
FDA UNII
- 29H5UXZ2VK
System Generated Number
- 0004791348
Structure Descriptors
InChI
1S/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(14)12(2)8(11)13/h1-3H3,(H,9,10)InChIKey
KBRBLIPQXNCIFS-UHFFFAOYSA-NSmiles
c12c(c(n(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04420, |