[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride 基本信息
CAS号 128887-42-3 分子式 C23H34ClNO6
分子量 455.97200 精确质量 　455.20700
PSA 　126.92000 LogP 　2.79350
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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：
128887-42-3
3D弹球模型：
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分子式：
C23H34ClNO6
分子量：
455.97200
英文名称：
[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride
英文别名：
[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride;
[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,1 1,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ] 2-aminoacetate hydrochloride
精确分子量/精确质量：
455.20700
极性分子表面积/PSA：
126.92000
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：
The Key: VNWIZXYGJMNNTO-BXYOYJPQSA-N

物化性质展开↓

沸点：
604.5ºC at 760mmHg
闪点：
319.4ºC
蒸汽压：
3.89E-17mmHg at 25°C

合成路线查看所有的合成路线

  • 6677-96-9

    11β,7α-dihydroxy-21-<(methylsulfonyl)oxy>pregn-4-ene-3,20-dione

  • →

  • 128887-42-3

    [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

  • 33767-06-5

    11β,17α-dihydroxy-21-iodopregn-4-ene-3,20-dione

  • →

  • 128887-42-3

    [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

  • 50-23-7

    氢化可的松

  • →

  • 128887-42-3

    [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB9690000
CHEMICAL NAME :
Glycine, (11-beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester, hydrochloride
CAS REGISTRY NUMBER :
128887-42-3
LAST UPDATED :
199303
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H33-N-O6.Cl-H
MOLECULAR WEIGHT :
456.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 24(3),26,1990

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    21-(N-tert-butyloxycarbonyl)aminoacetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione

  • 50-23-7

    氢化可的松

  • 33767-06-5

    11β,17α-dihydroxy-21-iodopregn-4-ene-3,20-dione

  • 6677-96-9

    11β,7α-dihydroxy-21-<(methylsulfonyl)oxy>pregn-4-ene-3,20-dione

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