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甲溴东莨菪碱 | 155-41-9

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中文名称：甲溴东莨菪碱

英文名称： Scopolamine Methyl Bromide

CAS No.： 155-41-9

分子式： C₁₈H₂₄BrNO₄

分子量： 398.2915

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：甲溴东莨菪碱结构式

MSDS：甲溴东莨菪碱MSDS

PubChem CID： 87575768

价格行情：甲溴东莨菪碱价格

快速询单国内供应商

甲溴东莨菪碱的其他展现形式

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CAS No.：1927-18-0

名称和标识符

MDL	MFCD00078560
InChIKey	CXYRUNPLKGGUJF-OZVSTBQFSA-M
Inchi	1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
SMILES	[Br-].O1[C@@]2([H])[C@]1([H])[C@]1([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])[N+]1(C([H])([H])[H])C([H])([H])[H])OC([C@@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])O[H])=O

别名信息

- 中文别名 -

甲溴东莨菪碱
溴甲东莨菪碱
甲基溴东莨菪碱
2-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯
Scopolamine Methyl Bromide 甲基溴东莨菪碱

丁基溴东莨菪碱杂质C
甲基溴化东莨菪碱
微晶纤维素
溴甲东莨菪碱 USP标准品
溴甲后马托品杂质D(EP) 标准品
氧托溴铵杂质B EP标准品
富马酸沃诺拉赞
甲溴东莨菪碱(标准品)
甲溴酸东莨菪碱

- 英文别名 -

Methscopolamine Bromide
Hyoscine Methobromide
Scopolamine Methylbromide
(-)-SCOPOLAMINE METHYL BROMIDE
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl...

Scopolamine Methyl B
(-)-N-methylscopolamine bromide
(?)-Scopolamine methyl bromide
(?)-Scopolamine methyl bromide Hyoscine methyl bromide Methscopolamine bromide
blocan
holopan
holopon
Hyoscine methyl bromide
Hyoscine methyl bromide Methscopolamine bromide
mescopil
Methscopolamine
N-methyl scopolammonium bromide
pamine
paraspan
TAK438
diopal
nutrop
ampyrox
-tropate
scopolamine methyl bromide
Scopolamine methobromide
Methscopolamine (bromide)
Proscomide
Methylscopolamine bromide
RTN51LK7WL
Scordin
Restropin
N-Methylhyoscine bromide
MLS000069754
Pamine Forte
Neo-Avagal
Lescopine bromide
Hyoscin methobromide
Nutrop
DTXCID0020608
Oxitropium bromide impurity B, European Pharmacopoeia (EP) Reference Standard
Homatropine Methylbromide Imp. D (EP)
(1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide
Homatropine Methylbromide Imp. D (EP) as Bromide
Methylhyoscine Bromide
Oxitropium bromide EP impurity B
Homatropine Methylbromide Impurity D as Bromide
(1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromidebromide
NSC 120606
MFCD00078560
155-41-9
Methscopolamine bromide, United States Pharmacopeia (USP) Reference Standard
(-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide
[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
bromide
NSC-120606
METHSCOPOLAMINE BROMIDE [USP MONOGRAPH]
Opera_ID_514
METHSCOPOLAMINE BROMIDE [MI]
Methylscopolamine hydrobromide
EC 205-844-5
SCOPOLAMINE METHYL BROMIDE [MI]
CHEMBL3091667
HYOSCINE METHOBROMIDE [WHO-DD]
1-alpha-H,5-alpha-H-Tropanium,6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester)
BDBM50494458
DS-3286
AKOS030524090
Pamine
N-Methylscopolammonium bromide
Epoxymethamine bromide
(S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide
Tox21_110037
Mescopil
3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
Hyoscine methylbromide
NCGC00022697-03
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide (1:1), (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-
EN300-7375674
CHEMBL1354199
SCOPOLAMMONIUM, N-METHYLBROMIDE
Scopolammonium, N-methyl-, bromide
(1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
HY-B0344
HMS3884G18
1-alpha-H,5-alpha-H-Tropanium, 6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester)
3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-
(-)-Scopolamine methyl bromide, >=98% (HPLC), powder
7-(3-Hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-3-oxo-9-azoniatricyclo-(3.3.1.0(2,4))nonane bromide
METHSCOPOLAMINE BROMIDE [ORANGE BOOK]
(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
Methscopolamine bromide [USP]
Ampyrox
(1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide (Methylhyoscine Bromide)
SCHEMBL152483
METHSCOPOLAMINE BROMIDE [VANDF]
Epoxytropine tropate methylbromide
(-)-Scopolamine methyl bromide
EINECS 205-844-5
Blocan
NCGC00013724-01
Paraspan
HYOSCINE METHOBROMIDE [MART.]
METHSCOPOLAMINE BROMIDE [USP-RS]
isobutylenesulfide
CAS-155-41-9
METHSCOPOLAMINE BROMIDE
N-Methylscopolamine Bromide
BROMIDE SALT OF OXITROPIUM BROMIDE IMPURITY B [EP IMPURITY]
SMR000058794
Tox21_110037_1
U 0382
s1978
DTXSID2040608
(1R,2R,4S,5S,7R)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-9-ium bromide
UNII-RTN51LK7WL
HMS2235K24
6.BETA.,7.BETA.-EPOXY-3.ALPHA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE (-)-TROPATE
CHEBI:61276
CCG-268630
3-OXA-9-AZONIATRICYCLO(3.3.1.0(SUP 2,4))NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, BROMIDE, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-
Scopolamin-N-methylbromid
Scopolamine methylbromide
Methoscopylamine bromide
(-)-Scopolamine methyl bromide
Hyoscine methyl bromide
Methscopolamine (Pamine)
1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, bromide, (-)-tropate
3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide (1:1), (1alpha,2beta,4beta,5alpha,7beta)-
Hyoscin-N-methylbromid
SW219038-1
Diopal
(-)-scopolamine methobromide
N-Methylhyoscinium bromide
Holopon
6beta,7beta-Epoxy-3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide (-)-tropate
WLN: T C356 A AK DOTJ A1 A1 HOVYR & 1Q & Q & E
Pamine Bromide
SCHEMBL158622
NSC-61809
NS00096432
Scopolammonium, bromide
CHEMBL107979
N-Methylscopolamine
N-methyl scopolamine
(-)-Tropate(ester)
9,9-dimethyl-3-oxa-95-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate
NMS
BCP34407
BDBM50015727
NCGC00162342-01
Methscopolamine methylbromide
NCGC00162342-02
7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
DTXSID90859307
1.alpha.-H, 6.beta.,7.beta.-epoxy-3.alpha.-hydroxy-8-methyl-, bromide, (-)-tropate
7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane
bromide(scopolamine methyl bromide)
Scopolamin methylbromide
CHEMBL293927
NSC61809
3-Oxa-9-azoniatricyclo[3.3.1.02, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-
1.alpha.H, 6.beta.,7.beta.-epoxy-3.alpha.-hydroxy-8-methyl-, bromide, (-)-tropate
NSC120606
L001039

物化性质

实验特性

LogP	-1.97450
PSA	59.06000
Merck	6003
折射率	-24 ° (C=1, H2O)
溶解度	H2O: 50 mg/mL
颜色与性状	无色液体。
溶解性	。

计算特性

精确分子量	397.08900
氢键供体数量	1
氢键受体数量	5
可旋转化学键数量	5
同位素质量	397.089
重原子数量	24
复杂度	454
同位素原子数量	0
确定原子立构中心数量	4
不确定原子立构中心数量	1
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	2
疏水参数计算参考值（XlogP）	1.3
拓扑分子极性表面积	59.1

安全信息

RTECS号	YM3675000
WGK Germany	3
安全说明	36/37/39-45-61-60-36/37
风险术语	R23/24/25; R50/53; R20/21/22
危险品标志	T N
危险品运输编号	UN 1544 6.1/PG 3
危害声明	H303
警示性声明	P312
提示语	警告
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
PackingGroup	III
危险类别码	R20/21/22;R50/53
信号词	Warning
HazardClass	6.1
监管条件代码	Q类（糖类，生物碱类，抗生素类，激素类）

国际标准相关数据

EINECS

海关数据

海关编码	2934999090
海关数据	中国海关编码： 2934999090 概述： 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途 Summary： 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

海关编码

2934999090

海关数据

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Reaxys RN	4079680
Beilstein	MFCD00078560

甲溴东莨菪碱 | 155-41-9

中国海关编码：

概述：

申报要素：

Summary：

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