Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)

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Names

[ CAS No. ]:
6466-29-1

[ Name ]:
Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)

[Synonym ]:
8,8'-propane-1,3-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
Theophylline,8,8'-trimethylenebis(2-thio
8,8'-Trimethylenebis(2-thiotheophylline)

Chemical & Physical Properties

[ Density]:
1.63g/cm3

[ Boiling Point ]:
791.3ºC at 760mmHg

[ Molecular Formula ]:
C17H20N8O2S2

[ Molecular Weight ]:
432.52300

[ Flash Point ]:
432.4ºC

[ Exact Mass ]:
432.11500

[ PSA ]:
175.40000

[ LogP ]:
1.14790

[ Index of Refraction ]:
1.784

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6755000
CHEMICAL NAME :
Theophylline, 8,8'-trimethylenebis(2-thio-
CAS REGISTRY NUMBER :
6466-29-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N8-O2-S2
MOLECULAR WEIGHT :
432.57
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ F1 GUS H1 C3- CT56 BN DN FNYNVJ F1 GUS H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01414

Safety Information

[ HS Code ]:
2933990090

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3,4-dimethoxy-N-(2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzamide
  • N-(2-(4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzo[d][1,3]dioxole-5-carboxamide
  • 3,4,5-trimethoxy-N-(2-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzamide
  • N-(2-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)thiophene-2-carboxamide
  • 4-methyl-N-(2-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
  • N-(2-(4-(4-(4-fluorophenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
  • 5-(4-(furan-2-carbonyl)piperazin-1-yl)-1-methyl-3-(2-methylbenzyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
  • N-(4-isopropylphenyl)-2-(2-morpholino-4-oxo-7-phenylthiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
  • Bis-(3-bromo-2-fluorobenzyl)ether
  • 1,3,5-Trimethyl-2-(2,2,2-trifluoroethyl)benzene
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