2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-

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Names

[ CAS No. ]:
6493-44-3

[ Name ]:
2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-

[Synonym ]:
Uric acid,1,3-dimethyl-8-(3-pyridylmethyl)thio-6-thio
6-Thio-8-(3'-pyridylmethyl)thiotheophylline
Theophylline,8-(3-pyridylmethyl)thio-6-thio

Chemical & Physical Properties

[ Density]:
1.54g/cm3

[ Boiling Point ]:
581.9ºC at 760mmHg

[ Molecular Formula ]:
C13H13N5OS2

[ Molecular Weight ]:
319.40500

[ Flash Point ]:
305.7ºC

[ Exact Mass ]:
319.05600

[ PSA ]:
125.89000

[ LogP ]:
2.01690

[ Index of Refraction ]:
1.758

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6497500
CHEMICAL NAME :
Theophylline, 8-(3-pyridylmethyl)thio-6-thio-
CAS REGISTRY NUMBER :
6493-44-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N5-O-S2
MOLECULAR WEIGHT :
319.43
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ F1 H1 IUS CS1- CT6NJ

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 :
180 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#04455

Related Compounds

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