Cas no 697225-02-8 (Iloprost tromethamine)
Iloprost tromethamine structure
Product Name:Iloprost tromethamine
CAS No:697225-02-8
MF:C26H43NO7
MW:481.622128725052
CID:2851323
Update Time:2023-08-10
Iloprost tromethamine Chemical and Physical Properties
Names and Identifiers
-
- Iloprost tromethamine
- Iloprost trometamol
- Ventavis (TN)
- Trometamol iloprost
- Ciloprost trometamol
- Iloprost tromethamine [MI]
- Pentanoic acid, 5-((3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-((1E,3S)-3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)-, (5E)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
- D08065
- Q27269128
-
- Inchi： 1S/C22H32O4.C4H11NO3/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24;5-4(1-6,2-7)3-8/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26);6-8H,1-3,5H2/b11-10+,16-8+;/t15?,17-,18+,19-,20+,21+;/m0./s1
- InChI Key： KZSSWXACMCYLBM-RMWNCEGRSA-N
- SMILES： O[C@@H]1C[C@@H]2C/C(=C\CCCC(=O)O)/C[C@@H]2[C@H]1/C=C/[C@H](C(C)CC#CC)O.OCC(CO)(CO)N
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 11
- Complexity: 660
- Topological Polar Surface Area: 165
Iloprost tromethamine Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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