碘氟醇，碘佛醇

碘氟醇，碘佛醇 基本信息
CAS号 87771-40-2 分子式 C18H24I3N3O9
分子量 807.11100 精确质量 　806.86500
PSA 　199.89000 LogP 　-1.23420
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
87771-40-2
3D弹球模型：
立即前往扯扯看
分子式：
C18H24I3N3O9
分子量：
807.11100
中文名称：
碘氟醇，碘佛醇
英文名称：
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
中文别名：
碘氟醇，碘佛醇;
N,N-双(2,3-二羟基丙基)-5-[(2-羟基乙酰基)-(2-羟乙基)氨基]-2,4,6-三碘苯-1,3-二甲酰胺
英文别名：
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide;
Ioversolum [Latin];
Optiray;
Optiray 350;
MP-328;
Optiray 160;
UNII-N3RIB7X24K;
[N,N'-bis-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodoisophthalamide];
N,N'-bis(2,3-dihydroxypropyl)-5[(hydroxyacetyl)-(2-hydroxyethyl)-amino]-2,4,6-triiodo-1,3-benzenedicarboxamide;
ioversol;
N,N'-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl)glycolamido]-2,4,6-triiodoisophthalamide;
Optiray 240;
Optiray 320
精确分子量/精确质量：
806.86500
极性分子表面积/PSA：
199.89000
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/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)

物化性质展开↓

密度：
2.265 g/cm3
熔点：
180-182ºC
沸点：
864.9ºC at 760 mmHg
闪点：
476.9°C
折射率：
1.738

合成路线查看所有的合成路线

  • 77868-40-7

    N,N'-二(2,3-二羟基丙基)-5-[(羟基乙酰基)氨基]-2,4,6-三碘-1,3-苯二甲酰胺

  • +

  • 107-07-3

    2-氯乙醇

  • →

  • 87771-40-2

    碘氟醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ2229000
CHEMICAL NAME :
1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)(2-hy droxyethyl) amino)-2,4,6-triiodo-
CAS REGISTRY NUMBER :
87771-40-2
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C18-H24-I3-N3-O9
MOLECULAR WEIGHT :
807.15

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 :
21200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 44,1275,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1314 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 22,769,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
833 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 22,769,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38372 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
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: 20,1127,1992 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
19 gm/kg
SEX/DURATION :
male 9 week(s) pre-mating female 2 week(s) pre-mating - 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
INVRAV Investigative Radiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1966- Volume(issue)/page/year: 24(Suppl 1),S16,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
28800 mg/kg
SEX/DURATION :
female 17-21 day(s) after conception lactating female 4 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
INVRAV Investigative Radiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1966- Volume(issue)/page/year: 24(Suppl 1),S16,1989

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  • 77868-40-7

    N,N'-二(2,3-二羟基丙基)-5-[(羟基乙酰基)氨基]-2,4,6-三碘-1,3-苯二甲酰胺

  • 107-07-3

    2-氯乙醇

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