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lwf991229

木虫 (职业作家)

小木虫董事局CEO

[交流] 【求助/交流】只知道结构式,各位同行看看是什么药品?

目前有一个药品的结构式,只知道它的一个代号:“RWJ-49815”。

想请各位看看命一名,或是看看其如何合成,或是哪儿有的卖现在的货?

有劳啦~

找到英文化学名是:N-{2-[4-(3,3,3-Triphenyl-propoxy)-phenyl]-ethyl}-methanetriamine


[ Last edited by lwf991229 on 2009-3-23 at 20:11 ]
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Absencesharpenslove,presencestrengthensit.
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fungicide5835

木虫 (小有名气)

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lwf991229(金币+5,VIP+0):辛苦~ 3-24 20:46
合成算简单的,看看这两篇专利
USP5643950
WO9748676
4楼2009-03-24 05:17:01
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嘉木

金虫 (正式写手)

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karl2100(金币+1,VIP+0):谢谢回复! 3-24 00:23
lwf991229(金币+5,VIP+0):嗯,谢了. 3-24 20:46
http://www.chemdrug.com/databases/10_5_dpcihkbogowokavb.html

看编号似乎是治疗艾滋病的
[Synonyms]
AIDS195981
AIDS-195981
RWJ-49815
N-{2-[4-(3,3,3-Triphenyl-propoxy)-phenyl]-ethyl}-methanetriamine

[Structure]



[ Properties Computed from Structure]

Molecular Weight 449.58664 [g/mol]
Molecular Formula C30H31N3O
XLogP 6.8
H-Bond Donor 2
H-Bond Acceptor 4
Rotatable Bond Count 10
Tautomer Count 2
Exact Mass 449.246713
MonoIsotopic Mass 449.246713
Topological Polar Surface Area 73.6
Heavy Atom Count 34
Formal Charge 0
Complexity 545
Isotope Atom Count 0
Defined Atom StereoCenter Count 0
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1


[ Descriptors Computed from Structure]
IUPAC Name: 2-[2-[4-[3,3,3-tri(phenyl)propoxy]phenyl]ethyl]guanidine
Canonical SMILES: C1=CC=C(C=C1)C(CCOC2=CC=C(C=C2)CCN=C(N)N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C30H31N3O/c31-29(32)33-22-20-24-16-18-28(19-17-24)34-23-21-30
(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19H,20-23H2,
(H4,31,32,33)/f/h31-32H2
2楼2009-03-23 23:02:40
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fungicide5835

木虫 (小有名气)

bacterial histidine kinase inhibitor
3楼2009-03-24 05:07:18
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