CAS号:298-46-4-卡马西平 - Carbamazepine-科华智慧

1. 主信息

英文名:	Carbamazepine
中文名:	卡马西平
CAS编号:	298-46-4
化学分子式：	C₁₅H₁₂N₂O
化学分子量：	236.27 g/mol
SMILES：	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
来源：	-
结构类型：	-
其它名称或标识：	Amizepine Carbamazepine Carbamazepine Acetate Carbamazepine Anhydrous Carbamazepine Dihydrate

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	100mg	HPLC≥98%	108	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	48	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	120	点击购买	2-8℃	现货	-
科华智慧	100g	≥98%	360	点击购买	2-8℃	现货	-
科华智慧	500g	≥98%	1320	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 30 32 0 0 0 0 0 0 0999 V2000 1.0649 2.9296 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 0.8924 -0.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 2.8293 -0.9143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.1984 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 0.1925 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -1.0876 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.0920 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -1.8018 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.8031 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 0.8267 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 0.8106 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 -1.6980 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -1.7062 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 2.2626 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 0.2018 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 0.1821 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -1.0609 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 -1.0763 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -2.4020 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -2.4043 -2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 1.8059 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 1.7811 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -2.6824 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -2.6897 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 0.7029 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 0.6743 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 -1.5494 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 -1.5689 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 3.8055 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 2.2987 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

benzo[b][1]benzazepine-11-carboxamide

4.2 InChl

InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

4.3 InChlKey

FFGPTBGBLSHEPO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.96934 -0.371981 0 0
M  V30 2 C -2.53545 0.528988 0 0
M  V30 3 C -1.53825 0.603718 0 0
M  V30 4 C -0.974928 -0.222521 0 0
M  V30 5 C -1.40881 -1.12349 0 0
M  V30 6 C -2.40602 -1.19822 0 0
M  V30 7 C -0.974928 -2.02446 0 0
M  V30 8 C 1.27676e-15 -2.24698 0 0
M  V30 9 C 0.781831 -1.62349 0 0
M  V30 10 C 1.64786 -2.12349 0 0
M  V30 11 C 2.51388 -1.62349 0 0
M  V30 12 C 2.51388 -0.62349 0 0
M  V30 13 C 1.64786 -0.12349 0 0
M  V30 14 C 0.781831 -0.62349 0 0
M  V30 15 N 0 0 0 0
M  V30 16 C 0.222521 0.974928 0 0
M  V30 17 O 1.17809 1.26968 0 0
M  V30 18 N -0.510531 1.6551 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 15
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 5 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 14
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 12 13
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 1 15 16
M  V30 19 2 16 17
M  V30 20 1 16 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