CAS号:1211594-55-6-Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3a,4,6,6a-tetrahydro-6a-hydroxy-, 1,1-dimethylethyl ester - tert-butyl 6a-hydroxy-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate-科华智慧

1. 主信息

英文名:	tert-butyl 6a-hydroxy-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
中文名:	Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3a,4,6,6a-tetrahydro-6a-hydroxy-, 1,1-dimethylethyl ester
CAS编号:	1211594-55-6
化学分子式：	C₁₀H₁₇N₃O₃
化学分子量：	227.26 g/mol
SMILES：	CC(C)(C)OC(=O)N1CC2C=NNC2(C1)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	100mg	98%	1240	-20℃	现货	-
科华智慧	250mg	98%	2480	-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 33 34 0 1 0 0 0 0 0999 V2000 -2.8657 1.4608 -1.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.4589 -0.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 1.4471 0.9019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 0.2386 -0.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 0.3456 0.6665 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -0.9654 1.0365 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 0.5999 -0.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1698 -0.7882 -0.7953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2438 1.0902 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 -0.8898 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -1.6033 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 0.4888 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -0.2813 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -1.4374 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -0.3017 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 1.0550 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 -1.0489 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 2.1390 0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 0.9568 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 -1.8241 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 -0.7759 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 0.9605 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 -2.6872 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 2.2859 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -1.3710 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -2.3998 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -1.4541 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -0.4610 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 -1.1127 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 0.6237 1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 1.1023 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 1.9329 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 1.1840 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 12 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

tert-butyl 6a-hydroxy-1,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-5-carboxylate

4.2 InChl

InChI=1S/C10H17N3O3/c1-9(2,3)16-8(14)13-5-7-4-11-12-10(7,15)6-13/h4,7,12,15H,5-6H2,1-3H3

4.3 InChlKey

RHQNBUOAURLQOG-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)OC(=O)N1CC2C=NNC2(C1)O

4.5 lsomeric SMILES

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

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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