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Substance Name: 1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one
RN: 4869-70-9
UNII: 16PCK5PX5O
InChIKey: AYOOHXCZCYWXBB-UHFFFAOYSA-N
Molecular Formula
- C12-H18-N4-O-S2
Molecular Weight
- 298.433
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Names and Synonyms
Name of Substance
- 1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one
Synonyms
- 2-Thio-8-(N-pentylthio)theophylline
- 2-Thio-8-n-pentylthiotheophylline
- BRN 1139272
- NSC 95892
- Theophylline, (8-pentylthio)-2-thio-
- UNII-16PCK5PX5O
- Uric acid, 1,3-dimethyl-8-pentylthio-2-thio-
Systematic Name
- Theophylline, 8-pentylthio-2-thio-
Registry Numbers
CAS Registry Number
- 4869-70-9
FDA UNII
- 16PCK5PX5O
System Generated Number
- 0004869709
Structure Descriptors
InChI
1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)InChIKey
AYOOHXCZCYWXBB-UHFFFAOYSA-NSmiles
c12c(c(n(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04432, |