CAS号:143-67-9-硫酸长春碱 - Vinblastine sulphate-科华智慧

1. 主信息

英文名:	Vinblastine sulphate
中文名:	硫酸长春碱
CAS编号:	143-67-9
化学分子式：	C₄₆H₅₈N₄O₉.H₂O₄S
化学分子量：	909.1 g/mol
SMILES：	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
来源：	-
结构类型：	吲哚类生物碱
其它名称或标识：	cellblastin Lemblastine Sulfate, Vinblastine Velban Velbe

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%	320	点击购买	2-8℃	现货	-
科华智慧	250mg	97%	1408	点击购买	2-8℃	现货	-
科华智慧	1g	97%	3840	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

补充中

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4. 国际命名与标识

4.1 IUPAC Name

methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid

4.2 InChl

InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1

4.3 InChlKey

KDQAABAKXDWYSZ-JKDPCDLQSA-N

4.4 Canonical SMILES

CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

4.5 lsomeric SMILES

CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 64 71 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -1.21977 -4.75364 0 0
M  V30 2 C -1.62651 -3.8401 0 0
M  V30 3 C -1.03872 -3.03108 0 0
M  V30 4 C -1.0137 -2.19505 0 0
M  V30 5 C -0.344466 -1.69336 0 0
M  V30 6 C 0.243319 -0.884338 0 0
M  V30 7 C 1.21362 -0.642416 0 0
M  V30 8 C 2.11241 -1.08079 0 0
M  V30 9 C 2.51915 -1.99433 0 0
M  V30 10 C 2.24351 -2.95559 0 0
M  V30 11 C 1.41447 -3.51479 0 0
M  V30 12 N 0.419949 -3.41026 0 0
M  V30 13 C -0.274709 -2.69092 0 0
M  V30 14 C -0.400688 -3.5719 0 0
M  V30 15 C 3.51367 -1.8898 0 0
M  V30 16 C 4.25681 -2.55894 0 0
M  V30 17 C 5.20787 -2.24992 0 0
M  V30 18 C 5.41578 -1.27177 0 0
M  V30 19 C 4.67264 -0.60264 0 0
M  V30 20 C 3.72158 -0.911657 0 0
M  V30 21 N 2.85555 -0.411657 0 0
M  V30 22 C 0.806879 0.271129 0 0
M  V30 23 C 1.39466 1.08015 0 0
M  V30 24 C 0.987927 1.99369 0 0
M  V30 25 C -0.00659474 2.09822 0 0
M  V30 26 C -0.59438 1.2892 0 0
M  V30 27 C -0.187643 0.375658 0 0
M  V30 28 C -1.54544 1.59822 0 0
M  V30 29 C -0.802292 0.929089 0 0
M  V30 30 C -1.20903 0.0155439 0 0
M  V30 31 N -2.20355 0.120072 0 0
M  V30 32 C -2.41146 1.09822 0 0
M  V30 33 C -3.27749 1.59822 0 0
M  V30 34 C -3.81248 0.985874 0 0
M  V30 35 C -3.66729 0.185809 0 0
M  V30 36 C -2.95125 -0.199509 0 0
M  V30 37 C -3.27749 2.59822 0 0
M  V30 38 C -2.41146 3.09822 0 0
M  V30 39 C -1.54544 2.59822 0 0
M  V30 40 N -0.59438 2.90724 0 0
M  V30 41 C -0.285363 3.85829 0 0
M  V30 42 C -2.91146 3.96425 0 0
M  V30 43 O -3.91146 3.96425 0 0
M  V30 44 O -2.41146 4.83027 0 0
M  V30 45 C -2.91146 5.6963 0 0
M  V30 46 O -1.91146 3.96425 0 0
M  V30 47 O -4.14351 3.09822 0 0
M  V30 48 C -4.14351 4.09822 0 0
M  V30 49 O -5.00954 4.59822 0 0
M  V30 50 C -3.27749 4.59822 0 0
M  V30 51 C -4.22444 1.9196 0 0
M  V30 52 C -4.41959 2.90037 0 0
M  V30 53 O 4.41115 -0.490128 0 0
M  V30 54 C 3.43089 -0.490128 0 0
M  V30 55 C 1.8014 0.166601 0 0
M  V30 56 O 1.39466 1.08015 0 0
M  V30 57 O 2.79592 0.0620722 0 0
M  V30 58 C 3.38371 0.871089 0 0
M  V30 59 O -2.03324 -2.92655 0 0
M  V30 60 O 0.490128 -1.47038 0 0
M  V30 61 S 1.47038 -1.47038 0 0
M  V30 62 O 1.47038 -2.45064 0 0
M  V30 63 O 2.45064 -1.47038 0 0
M  V30 64 O 1.47038 -0.490128 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 14
M  V30 4 1 3 4
M  V30 5 1 3 59
M  V30 6 1 4 5
M  V30 7 1 5 13
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 7 22
M  V30 12 1 7 55
M  V30 13 1 8 21
M  V30 14 2 8 9
M  V30 15 1 9 10
M  V30 16 1 9 15
M  V30 17 1 10 11
M  V30 18 1 11 12
M  V30 19 1 12 13
M  V30 20 1 12 14
M  V30 21 1 15 20
M  V30 22 2 15 16
M  V30 23 1 16 17
M  V30 24 2 17 18
M  V30 25 1 18 19
M  V30 26 2 19 20
M  V30 27 1 20 21
M  V30 28 1 22 27
M  V30 29 2 22 23
M  V30 30 1 23 24
M  V30 31 1 23 53
M  V30 32 2 24 25
M  V30 33 1 25 40
M  V30 34 1 25 26
M  V30 35 2 26 27
M  V30 36 1 26 28
M  V30 37 1 28 32
M  V30 38 1 28 39
M  V30 39 1 28 29
M  V30 40 1 29 30
M  V30 41 1 30 31
M  V30 42 1 31 36
M  V30 43 1 31 32
M  V30 44 1 32 33
M  V30 45 1 33 34
M  V30 46 1 33 37
M  V30 47 1 33 51
M  V30 48 2 34 35
M  V30 49 1 35 36
M  V30 50 1 37 38
M  V30 51 1 37 47
M  V30 52 1 38 39
M  V30 53 1 38 42
M  V30 54 1 38 46
M  V30 55 1 39 40
M  V30 56 1 40 41
M  V30 57 2 42 43
M  V30 58 1 42 44
M  V30 59 1 44 45
M  V30 60 1 47 48
M  V30 61 2 48 49
M  V30 62 1 48 50
M  V30 63 1 51 52
M  V30 64 1 53 54
M  V30 65 2 55 56
M  V30 66 1 55 57
M  V30 67 1 57 58
M  V30 68 1 60 61
M  V30 69 2 61 62
M  V30 70 2 61 63
M  V30 71 1 61 64
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