CAS号:98319-26-7-非那雄胺 - Finasteride-科华智慧

1. 主信息

英文名:	Finasteride
中文名:	非那雄胺
CAS编号:	98319-26-7
化学分子式：	C₂₃H₃₆N₂O₂
化学分子量：	372.5 g/mol
SMILES：	CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
来源：	-
结构类型：	-
其它名称或标识：	Chibro Proscar Chibro-Proscar Eucoprost Finasteride MK 906

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%	160	点击购买	2-8℃	现货	-
科华智慧	250mg	≥98%(HPLC)	80	点击购买	2-8℃	现货	-
科华智慧	1g	≥98%(HPLC)	192	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%(HPLC)	672	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%(HPLC)	2240	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 63 66 0 1 0 0 0 0 0999 V2000 -4.4299 1.1024 0.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1021 -1.2194 -0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3663 0.2925 -0.0743 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3175 -0.6786 -0.5924 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2754 1.4272 -0.4335 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3188 0.4372 0.1289 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1287 1.2039 0.1391 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5886 -0.2497 -0.2277 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0488 -0.5338 0.2751 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5776 0.9648 -0.5947 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8892 -0.9799 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -1.3035 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 2.7851 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 2.2629 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 2.5004 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 0.5671 -0.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5537 1.9794 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 0.5120 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1217 -0.5676 1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -1.8618 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 0.4946 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9092 -2.0551 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 -0.9685 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 -1.3516 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -2.6120 -1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 -1.7370 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7241 -0.4109 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 1.2687 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 1.3085 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 -0.3046 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 0.6722 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.0856 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -1.7247 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 -1.4030 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 -2.2896 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 3.5367 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 3.1660 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 3.2560 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 2.3042 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 2.9837 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 2.9321 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 0.5165 -1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 2.7133 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 2.1201 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 -0.2399 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 0.3212 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 1.4883 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 -1.4218 2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -0.6640 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 0.3349 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -2.7088 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 1.0700 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2826 -3.0234 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 -1.1014 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8725 -3.2990 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6309 -3.1511 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7859 -2.3624 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -0.8713 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5195 -2.3290 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2845 -2.3413 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7644 -0.0447 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -0.9301 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6975 0.4643 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 3 52 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 16 1 0 0 0 0 9 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 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

4.2 InChl

InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

4.3 InChlKey

DBEPLOCGEIEOCV-WSBQPABSSA-N

4.4 Canonical SMILES

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

4.5 lsomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.37375 -3.92871 0 0
M  V30 2 C 3.37347 -2.91962 0 0
M  V30 3 C 2.5303 -3.40673 0 0
M  V30 4 C 1.68686 -2.92011 0 0
M  V30 5 C 1.68658 -1.94697 0 0
M  V30 6 C 2.52974 -1.45987 0 0
M  V30 7 C 3.37319 -1.94649 0 0
M  V30 8 C 5.05862 -1.94601 0 0
M  V30 9 C 5.0589 -2.91914 0 0
M  V30 10 C 4.21691 -3.40625 0 0
M  V30 11 C 4.21719 -4.37898 0 0
M  V30 12 O 3.64566 -5.1661 0 0
M  V30 13 N 5.18462 -4.48038 0 0
M  V30 14 C 5.58052 -5.36891 0 0
M  V30 15 C 6.36764 -5.94044 0 0
M  V30 16 C 6.46905 -4.97301 0 0
M  V30 17 C 5.00899 -6.15603 0 0
M  V30 18 C 2.52947 -0.486141 0 0
M  V30 19 C 1.68602 0.000481478 0 0
M  V30 20 C 0.842855 -0.486622 0 0
M  V30 21 C 0.843133 -1.46035 0 0
M  V30 22 C 0.000556135 -1.94745 0 0
M  V30 23 C -0.842298 -1.46083 0 0
M  V30 24 C -0.842577 -0.487104 0 0
M  V30 25 O -1.70882 0.0125253 0 0
M  V30 26 N -0 -0 0 0
M  V30 27 C 0.843418 -2.46035 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 10
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 21
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 6 18
M  V30 11 1 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 11
M  V30 15 2 11 12
M  V30 16 1 11 13
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 14 16
M  V30 20 1 14 17
M  V30 21 1 18 19
M  V30 22 1 19 20
M  V30 23 1 20 26
M  V30 24 1 20 21
M  V30 25 1 21 22
M  V30 26 1 21 27
M  V30 27 2 22 23
M  V30 28 1 23 24
M  V30 29 2 24 25
M  V30 30 1 24 26
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