CAS号:842-07-9-苏丹红Ⅰ - Sudan I-科华智慧

1. 主信息

英文名:	Sudan I
中文名:	苏丹红Ⅰ
CAS编号:	842-07-9
化学分子式：	C₁₆H₁₂N₂O
化学分子量：	248.28 g/mol
SMILES：	C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O
来源：	-
结构类型：	-
其它名称或标识：	1-phenylazo-2-hydroxynaphthalene 1-phenylazo-2-naphthol 1-phenylazo-2-naphthol, (E)-isomer 1-phenylazo-2-naphthol, (Z)-isomer 1-phenylazo-2-naphthol, 1-(15)N-labeled

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	80	点击购买	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in acetonitrile	80	点击购买	2-8℃	现货	-
科华智慧	5ml	100μg/ml in n-hexane	80	点击购买	2-8℃	现货	-
科华智慧	25g	98%	24	点击购买	2-8℃	现货	-
科华智慧	100g	98%	64	点击购买	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 31 33 0 0 0 0 0 0 0999 V2000 -0.2479 -3.0278 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 -0.3926 -0.5153 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.2434 0.5691 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 0.3252 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 -0.0194 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -0.6943 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -1.3733 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 1.6790 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 -2.0343 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0764 0.9999 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -2.3732 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3836 2.6787 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 2.3398 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.0580 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 1.3844 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4255 -0.9722 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 1.6836 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7654 -0.6730 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 0.6549 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -1.6612 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3943 1.9875 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1196 0.7581 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 -3.4150 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 3.7220 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 3.1185 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 2.1924 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 -2.0095 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 -2.6196 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 2.7176 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4939 -1.4740 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2128 0.8878 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-phenyldiazenylnaphthalen-2-ol

4.2 InChl

InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H

4.3 InChlKey

MRQIXHXHHPWVIL-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.33013 -2.5 0 0
M  V30 2 C -4.33013 -1.5 0 0
M  V30 3 C -3.4641 -1 0 0
M  V30 4 C -2.59808 -1.5 0 0
M  V30 5 C -2.59808 -2.5 0 0
M  V30 6 C -3.4641 -3 0 0
M  V30 7 N -1.73205 -1 0 0
M  V30 8 N -1.73205 1.9984e-15 0 0
M  V30 9 C -0.866025 0.5 0 0
M  V30 10 C -0.866025 1.5 0 0
M  V30 11 C 1.22125e-15 2 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 C 0.866025 0.5 0 0
M  V30 14 C 1.73205 -7.77156e-16 0 0
M  V30 15 C 1.73205 -1 0 0
M  V30 16 C 0.866025 -1.5 0 0
M  V30 17 C 1.66533e-16 -1 0 0
M  V30 18 C 0 0 0 0
M  V30 19 O -1.73205 2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 7
M  V30 7 2 5 6
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 1 9 18
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 1 10 19
M  V30 14 2 11 12
M  V30 15 1 12 13
M  V30 16 1 13 18
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
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

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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