CAS 519-37-9 MFCD00055055-7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione BETA-羟基乙基茶碱 TAO{mole}

7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione BETA-羟基乙基茶碱

CAS 519-37-9 MFCD00055055

化学结构图

SMILES: Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

化学属性

Mol. Formula	C9H12N4O3
Mol. Weight	224.22
Melting Point	162.0 to 166.0 deg-C
Solubility	H2O: Solutions may be stored for several days at 4°C.soluble
Appearance	solid

别名和识别编码

Chemical Name	7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Number	519-37-9
Synonym	######## 1,3-DIMETHYL-7-(BETA-HYDROXYETHYL)XANTHINE 1,3-DIMETHYL-7-[2-HYDROXYETHYL]-XANTHINE 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine 7-(β-Hydroxyethyl)theophylline 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1h-purine-6-dione 3,7-二氢-7-(2-羟乙基)-1,3-二甲基-1H-嘌呤-2,6-二酮 7-(β-Hydroxyethyl)theophylline 7-(2'-Hydroxyethyl)theophylline 7-(2-HYDROXYETHYL)THEOPHYLLINE 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-(2-Hydroxyethyl)-1,3-dimethylxanthine 7-(2-Hydroxyethyl)theophylline 7-(2-hydroxyethyl)-theophyllin 7-(2-hydroxyethyl)theophylline 7-(2-羟乙基)茶碱 {Chemicalbo
MDL Number	MFCD00055055
PubChem Substance ID	1892
EC Number	208-269-8
Alfabeta Name	HYDROXYETHYLDIMETHYLDIHYDROPURINEDIONE H721337126()----------,,,
Merck Number	3878
Chemical Name Translation	BETA-羟基乙基茶碱
Wiswesser Line Notation	T56 BN DN FNVNVJ B2Q F1 H1
Beilstein Registry Number	0251760
LabNetwork Molecule ID	LN00184815
InChI	InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3

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产品应用

An inhibitor of 3?,5?-Cyclic Nucleotide Phosphodiesterase. Therapeutically, this compound has diuretic, muscle relaxant, bronchial dilation and CNS stimulant activities.

安全信息

GHS Symbol

Hazard statements

H302 Harmful if swallowed 吞食有害

WGK Germany3

Signal word Warning

RTECSXH5850000

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Warnings IRRITANT

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；

Hazard Codes Xn

Risk Statements

R22 Harmful if swallowed 吞咽有害

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P301+P312
P301+P312+P330
P330 Rinse mouth. 漱口
P501 Dispose of contents/container to..… 处理内容物/容器.....

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 30,2023,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 176 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 230,194,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 486 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 230,194,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 344 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(iss

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 90 gm/kg
SEX/DURATION            : female 90 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 8,383,1980

其他信息

BETA-羟基乙基茶碱价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0402 7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline 500G 5190元 2014/06/02 H0402 7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline 25G 696元
color:white
Sigma Aldrich:519-37-9(sigmaaldrich)
MOL 文件:519-37-9.mol
图谱信息:BETA-羟基乙基茶碱(519-37-9)核磁图( 1 HNMR) BETA-羟基乙基茶碱(519-37-9)红外图谱(IR2) BETA-羟基乙基茶碱(519-37-9)核磁图( 13 CNMR) BETA-羟基乙基茶碱(519-37-9)红外图谱(IR1) BETA-羟基乙基茶碱(519-37-9)质谱(MS)
用途一:益多酯的中间体。
TCI Shanghai:7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline,>;98.0%(LC)(N)(519-37-9)