CAS号:4360-12-7-阿马灵，阿义马林

1. 主信息

英文名:	Ajmaline
中文名:	阿马灵，阿义马林
CAS编号:	4360-12-7
化学分子式：	C₂₀H₂₆N₂O₂
化学分子量：	326.4 g/mol
SMILES：	CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
来源：	合成化合物
结构类型：	-
其它名称或标识：	Ajmaline Ajmaline Hydrochloride Aritmina Cardiorythmine Gilurtymal

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	HPLC≥95%	160	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 50 55 0 1 0 0 0 0 0999 V2000 0.2644 -2.9384 0.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 2.5514 -0.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 1.0413 -0.8573 N 0 0 2 0 0 0 0 0 0 0 0 0 1.7558 1.6435 0.0952 N 0 0 2 0 0 0 0 0 0 0 0 0 0.8623 -0.5839 -0.0099 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4633 -1.2802 0.0583 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1502 -0.3883 -1.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7847 1.3580 0.4755 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4150 -0.4686 0.9854 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6608 0.8233 0.6392 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0627 -1.6084 0.6707 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3312 -0.5682 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 0.7176 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 0.1984 0.1482 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8746 1.2190 -0.8245 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3547 -0.6203 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8209 0.7158 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 -0.8196 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -1.6925 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 2.9970 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 0.9753 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 -1.7432 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -1.4250 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -0.1041 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 -2.2003 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -0.6897 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.4433 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 -1.0967 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 0.7450 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -1.5715 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 -1.5194 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 0.2259 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 1.4602 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 0.3882 2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 0.7496 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 1.0834 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 -1.4102 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 -0.2781 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -3.5355 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -2.7158 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7359 3.4946 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 3.0118 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 3.5971 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 2.6065 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.9876 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 -2.4241 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -1.1804 1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8514 -2.3617 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3011 -2.2478 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 0.0812 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 39 1 0 0 0 0 2 15 1 0 0 0 0 2 44 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

4.2 InChl

InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1

4.3 InChlKey

CJDRUOGAGYHKKD-RQBLFBSQSA-N

4.4 Canonical SMILES

CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C

4.5 lsomeric SMILES

CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 29 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.98867 2.32325 0 0
M  V30 2 C 3.73388 1.49723 0 0
M  V30 3 C 2.89112 1.30488 0 0
M  V30 4 C 2.47878 1.82194 0 0
M  V30 5 C 2.48642 0.594487 0 0
M  V30 6 C 1.42723 -0.0258594 0 0
M  V30 7 C 0.720867 0.399015 0 0
M  V30 8 C 0.735802 1.22333 0 0
M  V30 9 C 1.4571 1.62233 0 0
M  V30 10 C 2.16304 1.19747 0 0
M  V30 11 C 1.81743 1.82194 0 0
M  V30 12 C 1.10381 1.83487 0 0
M  V30 13 O 0.685227 2.59119 0 0
M  V30 14 N 2.1481 0.373156 0 0
M  V30 15 C 2.74396 0.660106 0 0
M  V30 16 O 3.4198 0.121144 0 0
M  V30 17 C -0.691432 1.24918 0 0
M  V30 18 C -1.3978 1.67406 0 0
M  V30 19 C -2.11867 1.27504 0 0
M  V30 20 C -2.1336 0.450734 0 0
M  V30 21 C -1.42766 0.0258671 0 0
M  V30 22 C -0.706367 0.424875 0 0
M  V30 23 N 0 -0 0 0
M  V30 24 C -0.0153113 -0.845065 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 15
M  V30 4 1 3 4
M  V30 5 1 4 11
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 14
M  V30 9 1 6 7
M  V30 10 1 7 23
M  V30 11 1 7 8
M  V30 12 1 8 12
M  V30 13 1 8 9
M  V30 14 1 8 17
M  V30 15 1 9 10
M  V30 16 1 10 11
M  V30 17 1 10 14
M  V30 18 1 11 12
M  V30 19 1 12 13
M  V30 20 1 14 15
M  V30 21 1 15 16
M  V30 22 1 17 22
M  V30 23 2 17 18
M  V30 24 1 18 19
M  V30 25 2 19 20
M  V30 26 1 20 21
M  V30 27 2 21 22
M  V30 28 1 22 23
M  V30 29 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
催吐萝芙木	-	-
海南萝芙木	Hainan Devilpepper	Rauvolfia verticillata var. hainanensis
萝芙木	Common Devilpepper Equivalent plant: Rauvolfia ver	Rauvolfia verticillata
霹雳萝芙木	Perak Devilpepper	Rauwolfia perakensis
印度萝芙木	Java Devilpepper	Rauwolfia serpentina

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7. 相关靶点

基因靶点	靶点位置	参考文献
KCNH2	7q36.1	30947366

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8. 相关疾病

疾病名称

疾病类型

参考文献

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