简介名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据专业数据库参考相关分类相关产品

16α-羟基泼尼松龙 | 13951-70-7

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中文名称： 16α-羟基泼尼松龙

英文名称： (8R,9R,10S,11R,13R,14R,16S,17R)-11,16,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

CAS No.： 13951-70-7

分子式： C₂₁H₂₈O₆

分子量： 376.4434

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：16α-羟基泼尼松龙结构式

MSDS： 16α-羟基泼尼松龙MSDS

PubChem CID： 11047056

价格行情： 16α-羟基泼尼松龙价格

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16α-羟基泼尼松龙的其他展现形式

相关化合物

羟孕酮

17A-hydroxyprogesterone

CAS No.：68-96-2
泼尼松龙

prednisolone

CAS No.：50-24-8
泼尼松

prednisone

CAS No.：53-03-2
帕拉米松

Paramethasone

CAS No.：53-33-8
氟泼尼龙

Fluprednisolone

CAS No.：53-34-9
醋酸泼尼松龙

prednisolone acetate

CAS No.：52-21-1

简介

16α-Hydroxyprednisolone 是糖皮质激素布地奈德的 22(R) epimer 构型经过 CYP3A 酶代谢生成的代谢物。

名称和标识符

MDL	MFCD15146336
InChIKey	SEKYBDYVXDAYPY-VUSYKTSUSA-N
Inchi	1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m1/s1
SMILES	O([H])[C@@]1(C(C([H])([H])O[H])=O)[C@]([H])(C([H])([H])[C@]2([H])[C@@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])=C([H])[C@@]4(C([H])([H])[H])[C@]3([H])[C@@]([H])(C([H])([H])[C@]21C([H])([H])[H])O[H])=O)O[H]

别名信息

- 中文别名 -

16α-羟基泼尼松龙
16a-羟基泼尼松龙,16alpha-羟基泼尼松龙
16alpha-羟基泼尼松龙
(-)-丁香树脂酚-4-O-β-D-呋喃芹糖基-(1→2)-β-D-吡喃葡萄糖苷
16a-羟基泼尼松龙

16α羟基泼尼松龙
16Α-羟基-泼尼松龙
16α-羟基泼尼松龙原药
5'-O-(4,4'-二甲氧基三苯甲基)-2'-脱氧尿苷
6α-羟基泼尼松龙
布地奈德杂质A
布地奈德杂质A(EP) 标准品
夫西地酸
原药16α-羟基泼尼松龙
布地奈德水解物
11a和16b,17,21-四羟基孕甾-1,4-TIENE-3,20-二酮
布地奈德EP杂质A
17Α-羟基泼尼松龙
布地奈德杂质A (16-ALPHA-羟基-PREDNISOLONE)

- 英文别名 -

16alpha-hydroxyprednisolone
11a,16b,17,21-tetrahydroxy-pregna-1,4-diene-3,20-dione
16α-hydroxy-prednisolone
16a-Hydroxyprednisolone
16α-Hydroxyprednisolone

(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
11B,16A,17A,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
11β,16α,17α,21-Tetra
11β,16α,17α,21-Tetrahydroxypregna-1,4-diene-3,20-dione
16α-hydroxy-prednisonlone
16b
20-dione
4-diene-3
Einecs 237-731-1
Budesonide impurity A
16a-Hydroxypredisolone
16α-Hydroxyprednisolon
16A-HYDROXY-PREDNISOLONE
Budesonide EP Impurity A
(8R,9R,10S,11R,13R,14R,16S,17R)-11,16,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,
C21H28O6
Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11b,16a)-
OH-PRED
A807552
BCP0726000097
13951-70-7
11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione (16alpha-Hydroxyprednisolone)
Q-101381
Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11beta,16alpha)-
A-hydroxy-prednisolone
16alpha-Hydroxyprednisolone
11b,16a,17a,21-Tetrahydroxypregna-1,4-diene-3,20-dione
BCP04133
11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
Budesonide Imp. A (EP)
16alpha-Hydroxyprednisolone
Budesonide Impurity A
UNII-SW97540DC2
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
HY-117580
BCP9000061
Q27289433
AC1111
11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione
EINECS 237-731-1
11?,16?,17?,21-Tetrahydroxypregna-1,4-diene-3,20-dione
16alpha-Hydroxyprednisolone (11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione)
CHEMBL3542319
Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-
DTXSID20930496
SEKYBDYVXDAYPY-ILNISADRSA-N
16.ALPHA.-HYDROXYPREDNISOLONE
CS-0066553
MFCD00872019
11-Beta,16-Alpha,17-Alpha,21-Tetrahydroxypregna-1,4-diene-3,20-dione
(9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
A-Hydroxyprednisolone
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
16alpha-Hydroxy-prednisonlone
11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
AKOS025286083
SW97540DC2
EC 237-731-1
BUDESONIDE IMPURITY A [EP IMPURITY]
(11beta,16alpha)-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
(11?,16?)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
16
SCHEMBL145096

物化性质

实验特性

LogP	0.52840
PSA	115.06000
折射率	1.629
沸点	591.5℃ at 760 mmHg
熔点	245-250°C
蒸气压	No data available
闪点	325.6±26.6 °C
颜色与性状	No data avaiable
比旋光度	+74.0° - +80.0° (c=1, MeOH)
密度	1.4±0.1 g/cm3

计算特性

精确分子量	376.18900
氢键供体数量	4
氢键受体数量	6
可旋转化学键数量	2
同位素质量	376.189
重原子数量	27
复杂度	756
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	8
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	1.2
拓扑分子极性表面积	115

安全信息

安全说明	H360 (28.12%) H361 (65.62%) H362 (28.12%)
危害声明	H315; H319; H335
警示性声明	P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件	Store long-term at -20°C
信号词	Warning

国际标准相关数据

EINECS	237-731-1

海关数据

海关编码	2937210000
海关数据	中国海关编码： 2914400090 概述： 2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% 申报要素：品名, 成分含量, 用途, 丙酮报明包装 Summary： 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

海关编码

2937210000

海关数据