CAS号:92-13-7-毛果芸香碱(液体) - Pilocarpine-科华智慧

1. 主信息

英文名:	Pilocarpine
中文名:	毛果芸香碱(液体)
CAS编号:	92-13-7
化学分子式：	C₁₁H₁₆N₂O₂
化学分子量：	208.26 g/mol
SMILES：	CCC1C(COC1=O)CC2=CN=CN2C
来源：	-
结构类型：	-
其它名称或标识：	Hydrochloride, Pilocarpine Isopilocarpine Isoptocarpine Nitrate, Pilocarpine Ocusert

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%	1728	点击购买	-20℃	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 32 0 1 0 0 0 0 0999 V2000 -2.0773 1.8281 0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8461 0.6046 1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -0.7151 0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.9564 -0.3677 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 0.1312 0.1415 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8570 -0.5212 0.2559 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5350 -0.5651 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.5317 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 -1.1849 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 0.6636 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -0.1059 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 -1.6450 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 0.9138 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -0.0373 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -1.8550 1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 0.2110 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -1.2265 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -0.3854 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -1.6509 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 2.2649 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 1.6162 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -2.0580 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.5054 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 -2.2109 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 -0.8086 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1074 -2.3011 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 1.6265 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7202 -0.3091 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0310 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -1.6459 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -2.7273 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 11 13 2 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

4.2 InChl

InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

4.3 InChlKey

QCHFTSOMWOSFHM-WPRPVWTQSA-N

4.4 Canonical SMILES

CCC1C(COC1=O)CC2=CN=CN2C

4.5 lsomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C

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
毛果芸香碱	-	Pilocarpus jaborandi
印度木防己	Indian Snailseed	Cocculus indicus

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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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