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生产方法和用途相关文献专业数据库参考相关分类相关产品

beta-托品醇 | 135-97-7

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中文名称： beta-托品醇

英文名称： Pseudotropine

CAS No.： 135-97-7

分子式： C₈H₁₅NO

分子量： 141.2108

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：beta-托品醇结构式

MSDS： beta-托品醇MSDS

PubChem CID： 449293

价格行情： beta-托品醇价格

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beta-托品醇的其他展现形式

相关化合物

去甲托品醇

Nortropine

CAS No.：538-09-0
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CAS No.：7432-10-2
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简介

Pseudotropine (β-Tropine) 是 Tropane 的衍生物，是一种植物生物碱。

名称和标识符

MDL	MFCD00078060
InChIKey	CYHOMWAPJJPNMW-DHBOJHSNSA-N
Inchi	1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
SMILES	O([H])C1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])N2C([H])([H])[H]

别名信息

- 中文别名 -

beta-托品醇
8-甲基-8-氮杂双环[3.2.1]辛-3-醇
β-托品醇
B-托品醇
D(＋)-木糖

N-苄基托品醇
托品醇, 莨菪醇
3-羟基莨菪烷
8-甲基-8-氮杂双环[3.2.1]-3-辛烷醇
假托品
莨菪醇
假托品鹼
Β-托品醇 N-苄基托品醇
Β-托品醇

- 英文别名 -

pseudotropine
Exo-8-methyl-8-azabicyclo[3,2,1]octan-3-ol
3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-exo)-
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

Tropine
β-Tropine
ψ-Tropine
3-Pseudotropanol
Pseudotropanol
Exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
TROPINE(RG)
beta-Tropine
3-beta-tropanol
3-hydroxytropane
Atropine Impurity 8
exo-8-azabicyclo(3.2.1)octan-3-o
3-TROPANOL,99.0+%
β-Tropine≥ 99% (assay)
psi-Tropine
3beta-Tropanol
Tropanol
3-Tropanol
tropan-3beta-ol
(3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
1alphaH,5alphaH-Tropan-3beta-ol
7YXR19M72Y
L9Q7Z9D09L
3-alpha-Tropanol
CYHOMWAPJJPNMW-RNLVFQAGSA-N
exo-8-Methyl-8
Pseudotropine
DTXSID501026533
NCGC00016370-01
Pseudotropine 100 microg/mL in Acetonitrile
Tropine, European Pharmacopoeia (EP) Reference Standard
8-AZABICYCLO(3.2.1)OCTAN-3-OL, 8-METHYL-, (3-EXO)-
TROPINE [EP IMPURITY]
2,3-Dihydro-3alpha-hydroxytropidine
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
UNII-L9Q7Z9D09L
A804485
STR03114
CHEBI:15884
tropane-3beta-ol
tropan-3.alpha.-ol
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol
(5S,1R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
NCGC00260273-01
EINECS 205-226-5
Tox21_202725
AI3-52686
F10571
(1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
NSC-43871
?-Tropine
EN300-6474754
C1505
DS-17896
exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SCHEMBL64824
Q2467410
TROPISETRON HYDROCHLORIDE IMPURITY A [EP IMPURITY]
3.beta.-Tropanol
BRN 0080189
rel-(1R,3s,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
Tropisetron Hydrochloride Imp. A (EP)
Tropisetron Imp. A (EP)
(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ol
Tropine
Tropisetron Hydrochloride Impurity A
Tropisetron Impurity A
DTXCID9029358
CS-0078616
CHEMBL1356617
Z1741970166
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-endo)-
5-21-01-00219 (Beilstein Handbook Reference)
8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, (3-endo)-
8-Methyl-8-azabicyclo[3.2.1]-3-octanol
EINECS 204-384-2
AKOS024282706
CYHOMWAPJJPNMW-DHBOJHSNSA-N
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
T0534
DB04026
CAS-120-29-6
Tropine 100 microg/mL in Acetonitrile
3alpha-Tropanol
(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ol (Tropine)
1-alpha-H,5-alpha-H-Tropan-3-beta-ol
EN300-7054544
AKOS005137976
NSC 43871
3-Tropanol
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
135-97-7
NSC-43870
Tropine, >=97.0% (NT)
PSEUDOTROPINE [MI]
AKOS006273567
CHEBI:15742
SCHEMBL100196
NS00015118
Tropine, 98%
Pseudotropine
3?-Tropanol
psi-Tropine
HMS3886K07
CHEMBL1235490
TROPINE [MI]
Tropan-3a-ol
CCG-266157
s4969
Rel-Tropine
3-beta-Tropanol
.ALPHA.-TROPINE
PS-4234
BRN 0080188
MFCD00078060
.PSI.-TROPINE
tropan-3.beta.-ol
NSC 43870
tropan-3alpha-ol
MFCD00005551
ENDO-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-OL
8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, exo-
SCHEMBL745726
Q3409892
A-804485
AS-15140
NS00073198
UNII-7YXR19M72Y
(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
(3-endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
1alphaH,5alphaH-Tropan-3alpha-ol
CYHOMWAPJJPNMW-JIGDXULJSA-N
DTXSID2049399
120-29-6
exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
7432-10-2
1-Methyl-2,5-(2-hydroxytrimethylene)pyrrolidine
AC-1979
BSPBio_001094
8-Methyl-8-aza-bicyclo[3.2.1]octan-3-ol
InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H
SR-05000002205
tropan-3-ol
Prestwick2_001077
NSC43870
FT-0602520
1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol
DTXSID70859224
HY-N7061
8-Azabicyclo[3.2.1]octanol, 8-methyl-
AC-1980
N-Methyl-8-azabicyclo[3.2.1]octan-3-ol
BB 0259527
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-
AM20080142
C02066
HMS1571G16
Prestwick1_001077
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, endo-
Prestwick0_001077
AB00514033
C00729
CS-W016435
0AC9FE9A-C292-490C-A504-EA261C257333
NSC43871
NCGC00179307-01
NSC241183
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-
CCG-208541
EN300-223936
2,3-Dihydro-3.alpha.-hydroxytropidine
3.alpha.-Tropanol
Q-201903
SR-05000002205-2
FT-0600514
CS-0369298
NSC-241183
bmse000974
AS-13829
SCHEMBL38978
SY005218
CHEMBL113555
endo-8-Azabicyclo[3.2.1]-3-octanol, 8-methyl-
N-Tropine (trans)
FT-0660307
Oprea1_099397
AS-13524
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
HMS1661L14
SPBio_002997
8-Azabicyclo(3.2.1)octanol, 8-methyl-
AKOS005267127
BPBio1_001204
AKOS015955557
W-108254
F0001-2567
Prestwick3_001077
1alphaH,5alphaH-Tropan-3alpha-ol (8CI)
2,3-Dihydro-3alpha-hydroxy-8-methylnortropidine
HMS2098G16
FT-0675703
1.alpha.H,5.alpha.H-Tropan-3.beta.-ol
1.alpha.H,5.alpha.H-Tropan-3.beta.-ol
psi-tropine
psi-tropine
pseudotropanol
pseudotropanol
8-methyl-8-azabicyclo[3.2.1]octan-3-ol
8-methyl-8-azabicyclo[3.2.1]octan-3-ol
3-pseudotropanol
3-pseudotropanol
3?-Tropanol
3?-Tropanol
3beta-tropanol
3beta-tropanol
1alphaH,5alphaH-tropan-3alpha-ol
1alphaH,5alphaH-tropan-3alpha-ol
PSEUDOTROPINE
PSEUDOTROPINE
3alpha-tropanol
3alpha-tropanol
1alphaH,5alphaH-tropan-3beta-ol
1alphaH,5alphaH-tropan-3beta-ol
tropanol
tropanol

物化性质

实验特性

LogP	0.54180
PSA	23.47000
折射率	1.4811 (estimate)
沸点	241°C at 760 mmHg
熔点	107-112°C
蒸气压	No data available
闪点	112.5 °C
颜色与性状	Powder
酸度系数(pKa)	3.80(at 15℃)
密度	0.9938 (rough estimate)

计算特性

精确分子量	141.11500
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	0
同位素质量	141.115
重原子数量	10
复杂度	123
同位素原子数量	0
确定原子立构中心数量	2
不确定原子立构中心数量	0
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）	0.8
拓扑分子极性表面积	23.5

安全信息

安全说明	H302 (94.12%) H312 (17.65%) H332 (76.47%)
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 at room temperature
信号词	Warning

国际标准相关数据

EINECS	205-226-5

生产方法和用途

用途	用作医药中间体

相关文献

1. Bioactivity-guided synthesis of tropine derivatives as new agonists for melatonin receptors
Xiu-Juan Yin,Chang-An Geng,Xiao-Yan Huang,Hao Chen,Yun-Bao Ma,Xing-Long Chen,Chang-Li Sun,Tong-Hua Yang,Jun Zhou,Xue-Mei Zhang,Ji-Jun Chen RSC Adv. 2016 6 45059
2. Bioactivity-guided synthesis of tropine derivatives as new agonists for melatonin receptors
Xiu-Juan Yin,Chang-An Geng,Xiao-Yan Huang,Hao Chen,Yun-Bao Ma,Xing-Long Chen,Chang-Li Sun,Tong-Hua Yang,Jun Zhou,Xue-Mei Zhang,Ji-Jun Chen RSC Adv. 2016 6 45059
3. Reaction screening and optimization of continuous-flow atropine synthesis by preparative electrospray mass spectrometry
Caitlin E. Falcone,Zinia Jaman,Michael Wleklinski,Andy Koswara,David H. Thompson,R. Graham Cooks Analyst 2017 142 2836
4. Plant growth promoting N-alkyltropinium bromides enhance seed germination, biomass accumulation and photosynthesis parameters of maize (Zea mays)
Anna Parus,Grzegorz Framski,Wojciech Rypniewski,Katarzyna Panasiewicz,Piotr Szulc,Kamila Myszka,Agnieszka Zgo?a-Grze?kowiak,?ukasz ?awniczak,?ukasz Chrzanowski New J. Chem. 2019 43 5805
5. Chemistry and biology of calystegines
Birgit Dr?ger Nat. Prod. Rep. 2004 21 211
6. Tropane alkaloid biosynthesis: a centennial review
Jian-Ping Huang,Yong-Jiang Wang,Tian Tian,Li Wang,Yijun Yan,Sheng-Xiong Huang Nat. Prod. Rep. 2021 38 1634
7. Study of the occurrence of tropane alkaloids in animal feed using LC-HRMS
Ana Romera-Torres,Roberto Romero-González,José Luis Martínez Vidal,Antonia Garrido Frenich Anal. Methods 2018 10 3340
8. Recent advances in the biosynthesis strategies of nitrogen heterocyclic natural products
Bo Gao,Bo Yang,Xudong Feng,Chun Li Nat. Prod. Rep. 2022 39 139
9. Fruity, sticky, stinky, spicy, bitter, addictive, and deadly: evolutionary signatures of metabolic complexity in the Solanaceae
Paul D. Fiesel,Hannah M. Parks,Robert L. Last,Cornelius S. Barry Nat. Prod. Rep. 2022 39 1438
10. Biosynthesis and synthetic biology of psychoactive natural products
Cooper S. Jamieson,Joshua Misa,Yi Tang,John M. Billingsley Chem. Soc. Rev. 2021 50 6950

专业数据库参考

PubChemId	449293

beta-托品醇 | 135-97-7

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