8-[(2-哌啶乙基)硫代]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮

  • 基本信息
  • 物化性质
  • 毒理性

8-[(2-哌啶乙基)硫代]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 基本信息

中文名称:
8-[(2-哌啶乙基)硫代]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 
中文别名:
 
英文名称:
2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
英文别名:
1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one;
Theophylline,8-(2-(piperidinoethyl)thio)-6-thio;
Uric acid,1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio 
CAS No.:
6493-46-5
分 子 式:
C14H21N5OS2
分 子 量:
339.4794
精确分子量:
339.11900
PSA:
116.24000
InChI:
The Key: KRNRCKVBLPHZPG-UHFFFAOYSA-N
分子结构式:
SDS:
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8-[(2-哌啶乙基)硫代]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 物化性质

密度:
1.41g/cm3
沸点:
546.2ºC at 760mmHg
闪点:
284.1ºC
折射率:
1.694

8-[(2-哌啶乙基)硫代]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6487300
CHEMICAL NAME :
Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
CAS REGISTRY NUMBER :
6493-46-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H21-N5-O-S2
MOLECULAR WEIGHT :
339.52
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ F1 H1 IUS CS2- AT6NTJ

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 :
56 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#04457

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