Pseudooxynicotine-d4hydrochloride

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货号 (SKU)	包装规格	是否现货
P649146-1mg	1mg	期货
P649146-5mg	5mg	期货
P649146-10mg	10mg	期货
P649146-25mg	25mg	期货

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Isotope-Labeled Compounds (194)

基本描述

别名	伪烟碱-d4盐酸盐
英文别名	DTXSID90478552 \| 4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one \| 4-(Methylamino)-1-(3-pyridyl-d4)-1-butanone Dihydrochloride \| AKOS030242950
规格或纯度	≥99%
英文名称	Pseudooxynicotine-d4hydrochloride
生化机理	假烟碱-d 4（盐酸盐）是氘标记的假烟碱盐酸盐。
储存温度	2-8°C储存,干燥
运输条件	冰袋运输
产品介绍	Pseudooxynicotine-d 4 (hydrochloride) is the deuterium labeled Pseudooxynicotine hydrochloride. In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid
纯度	≥99%

名称和识别符

IIUPAC Name	4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one
INCHI	1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3/i2D,4D,7D,8D
InChi Key	SGDIDUFQYHRMPR-TZMKMNDCSA-N
Smiles	CNCCCC(=O)C1=CN=CC=C1
Isomeric SMILES	[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)CCCNC)[2H]
分子量	255.18
Reaxy-Rn	132948
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132948&ln=

化学和物理性质

分子量	182.260 g/mol
XLogP3	0.300
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	182.136 Da
单同位素质量Monoisotopic Mass	182.136 Da
拓扑极表面积Topological Polar Surface Area	42.000 Å²
重原子数Heavy Atom Count	13
形式电荷Formal Charge	0
复杂度Complexity	159.000
同位素原子数Isotope Atom Count	4
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

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