哈西奈德

哈西奈德 基本信息
CAS号 3093-35-4 分子式 C24H32ClFO5
分子量 454.95900 精确质量  454.19200
PSA  72.83000 LogP  3.88930

基本信息 展开↓

CAS号:
3093-35-4
3D弹球模型:
立即前往扯扯看
分子式:
C24H32ClFO5
分子量:
454.95900
中文名称:
哈西奈德
英文名称:
halcinonide
中文别名:
哈西奈德;
16a,17-[(1-甲基亚乙基)双氧]-11b-羟基-21-氯-9-氟孕甾-4-烯-3,20-二酮;
硫酸原黄素
英文别名:
halcinonide;
halcinomide;
Alcinonide;
Halcimat;
Halog;
UNII-SI86V6QNEG;
Halciderm
精确分子量/精确质量:
454.19200
极性分子表面积/PSA:
72.83000
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。
EINECS:
221-439-6
InChI:
The Key: MUQNGPZZQDCDFT-JNQJZLCISA-N

物化性质展开↓

密度:
1.31 g/cm3
沸点:
564.3ºC at 760 mmHg
闪点:
295.1ºC
折射率:
1.566

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R63
安全说明:
S36
RTECS号:
TU5010200
危险标志:
Xn:Harmful

合成路线查看所有的合成路线

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  • ~67%

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    哈西奈德

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    9-Brom-21-chlor-11β-hydroxy-16α,17-isopropylidendioxy-4-pregnen-3,20-dion

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5010200
CHEMICAL NAME :
Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic 16,17-acetal with acetone
CAS REGISTRY NUMBER :
3093-35-4
BEILSTEIN REFERENCE NO. :
1358242
LAST UPDATED :
199612
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C24-H32-Cl-F-O5
MOLECULAR WEIGHT :
455.01
WISWESSER LINE NOTATION :
T F5 E5 B666 GO IO RV PUTJ A1 BF CQ E1 FV1G H1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
39800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
95500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
409 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4375 ug/kg/1W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4375 ug/kg/5W-I
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
455 mg/kg/13W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
45500 ug/kg/13W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
136 mg/kg/13W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - other changes

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Cells - not otherwise specified
DOSE/DURATION :
1 nmol/L
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,1782,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6056 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 794 (estimated) No. of Female Employees: 419 (estimated)

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