Cas no 26126-84-1 (Voachalotine oxindole)
Voachalotine oxindole structure
Product Name:Voachalotine oxindole
CAS No:26126-84-1
MF:C22H26N2O4
MW:382.452846050262
CID:262766
Update Time:2024-03-04
Voachalotine oxindole Chemical and Physical Properties
Names and Identifiers
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- Spiro[3H-indole-3,1'(5'H)-[3,7]methanoindolizine]-9'-carboxylicacid,6'-ethylidene-1,2,2',3',6',7',8',8'a-octahydro-9'-(hydroxymethyl)-1-methyl-2-oxo-,methyl ester, (1'S,3'S,6'E,7'S,8'aS,9'R)- (9CI)
- Spiro[3H-indole-3,1'(5'H)-[3,7]methanoindolizine]-9'-carboxylicacid,6'-ethylidene-1,2,2',3',6',7',8',8'a-octahydro-9'-(hydrox
- [1'S-(1'a,3'b,6'E,7'b,8'aa,9'S*)]-Methyl6'-ethylidene-1,2,2',3',6',7',8',8'a-octahydro-9'-(hydroxymethyl)-1-methyl-2-oxospiro[3H-indole-3,1'(5'H)-[3,7]methanoindolizine]-9'-carboxylate
- Spiro[3H-indole-3,1'(5'H)-[3,7]methanoindolizine]-9'-carboxylicacid,6'-ethylidene-1,2,2',3',6',7',8',8'a-octahydro-9'-(hydroxymethyl)-1-methyl-2-oxo-,methyl ester, [1'S-(1'a,3'b,6'E,7'b,8'aa,9'S*)]-
- Voachalotineoxindole (8CI)
- Voachalotine oxindole
- CID 102116990
- Spiro[3H-indole-3,1'(5'H)-[3,7]methanoindolizine]-9'-carboxylic acid, 6'-ethylidene-1,2,2',3',6',7',8',8'a-octahydro-9'-(hydroxymethyl)-1-methyl-2-oxo-, methyl ester, (1'S,3'S,6'E,7'S,8'aS,9'R)- (9CI)
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- Inchi： 1S/C22H26N2O4/c1-4-13-11-24-17-9-15(13)22(12-25,20(27)28-3)18(24)10-21(17)14-7-5-6-8-16(14)23(2)19(21)26/h4-8,15,17-18,25H,9-12H2,1-3H3/b13-4+/t15-,17-,18-,21-,22?/m0/s1
- InChI Key： XFZSKHOXTFALFI-OHWQLARVSA-N
- SMILES： OCC1(C(=O)OC)[C@@H]2/C(=C/C)/CN3[C@@H](C2)[C@]2(C(N(C)C4C=CC=CC2=4)=O)C[C@H]31
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 751
- Topological Polar Surface Area: 70.1
Voachalotine oxindole Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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