CAS号:1093070-16-6-GRL0617 - 5-Amino-2-Methyl-N-[(1r)-1-Naphthalen-1-Ylethyl]benzamide-科华智慧

1. 主信息

英文名:	5-Amino-2-Methyl-N-[(1r)-1-Naphthalen-1-Ylethyl]benzamide
中文名:	GRL0617
CAS编号:	1093070-16-6
化学分子式：	C₂₀H₂₀N₂O
化学分子量：	304.4 g/mol
SMILES：	CC1=C(C=C(C=C1)N)C(=O)NC(C)C2=CC=CC3=CC=CC=C32
来源：	合成化合物
结构类型：	-
其它名称或标识：	5-amino-2-methyl-N-((R)-1-(1-naphthyl)ethyl)benzamide GRL 0617 GRL-0617 GRL0617

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	98%	1120	-20°C	现货	-
科华智慧	10mg	98%	2000	-20°C	现货	-
科华智慧	25mg	98%	3360	-20°C	现货	-
科华智慧	50mg	98%	5600	-20°C	现货	-
科华智慧	100mg	98%	7840	-20°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 43 45 0 1 0 0 0 0 0999 V2000 0.8556 -1.4522 1.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -0.4758 -0.9982 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 2.8369 0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -0.8271 -1.1947 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6902 0.2194 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 -0.1066 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 0.9293 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0015 -1.1383 -2.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 1.5476 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -1.4379 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -0.8256 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 2.2607 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 2.5662 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 -0.3684 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0074 0.6037 0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -1.2811 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6116 -1.7433 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4275 -0.7245 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 0.9991 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1031 -0.8264 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3226 1.4540 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 -2.7509 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.5413 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -1.7619 -0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 0.0716 -1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 -0.2550 -3.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -1.9264 -3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -1.4728 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.8305 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7979 -2.2781 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 3.0732 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 3.6005 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6616 1.3838 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -2.7764 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3923 -0.9628 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 1.7141 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9318 -1.5239 0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -3.0192 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -3.0659 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 -3.3289 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4024 0.8834 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 3.1666 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 3.4994 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 15 2 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 17 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

4.2 InChl

InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1

4.3 InChlKey

UVERBUNNCOKGNZ-CQSZACIVSA-N

4.4 Canonical SMILES

CC1=C(C=C(C=C1)N)C(=O)NC(C)C2=CC=CC3=CC=CC=C32

4.5 lsomeric SMILES

CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

4.6 SDF文件

补充中

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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

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型