cas号： 86050-77-3 ，名称：钆喷酸葡胺的性质/作用/用途-化学加百科

钆喷酸葡胺

钆喷酸葡胺基本信息
CAS号	86050-77-3	分子式	C28H54GdN5O20
分子量	938.00000	精确质量	938.26000
PSA	389.58000	LogP	-9.03700

我要卖该产品我要采购该产品

充值推广查看更多供应商

基本信息毒性结构与计算数据

基本信息展开↓

CAS号：: 86050-77-3
分子式：: C28H54GdN5O20
分子量：: 938.00000
中文名称：: 钆喷酸葡胺
英文名称：: gadopentetate dimeglumine
中文别名：: 钆喷酸葡胺;
钆喷酸葡甲胺;
二乙烯三胺五醋酸钆双葡甲胺;
chloro(diisopropylamino)methoxyphosphine;
(S)-1,2,3,4-Tetrahydro-1-naphthoic acid;
Disulfide, bis(alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl) (8CI);
Disulfide, bis[2-nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl];
Disulfide, bis[2-nitro-4- (trifluoromethyl)phenyl];
disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl];
2-Chloro-4-fluorobenzene-1-sulfonyl chloride;
2-Chloro-4-fluorobenzenesulfonyl chloride
英文别名：: gadopentetate dimeglumine;
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate,gadolinium(3+),(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;
Meglumine gadopentetate;
Magnevist;
Gadopentetic acid dimeglumine salt;
Diethylenetriaminepentaacetic acid dimeglumine salt gadolinium chelate;
GADOPENTETATE DIMEGLUMINE;
Gadolinium dtpa;
Gd-DTPA;
Dimeglumine-gadolinium-dtpa
精确分子量/精确质量：: 938.26000
极性分子表面积/PSA：: 389.58000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: InChI=1/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LW1001000

CAS REGISTRY NUMBER :: 86050-77-3

LAST UPDATED :: 199412

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C14-H18-Gd-N3-O10.2C7-H17-N-O5.2H

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9411 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AAJRDX AJR, American Journal of Roentgenology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.126- 1976- Volume(issue)/page/year: 142,619,1984

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

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 612 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AAJRDX AJR, American Journal of Roentgenology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.126- 1976- Volume(issue)/page/year: 142,619,1984

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4291 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: (Suppl),254,1992

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:14

3.氢键受体数量:25

4.可旋转化学键数量:25

5.互变异构体数量:无

6.拓扑分子极性表面积:431

7.重原子数量:54

8.表面电荷:0

9.复杂度:631

10.同位素原子数量:0

11.确定原子立构中心数量:8

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:4