Cas no 81131-74-0 (3'alpha-Isopravastatin)
3'alpha-Isopravastatin structure
Product Name:3'alpha-Isopravastatin
CAS No:81131-74-0
MF:C23H36O7
MW:424.52774810791
CID:986408
Update Time:2024-03-01
3'alpha-Isopravastatin Chemical and Physical Properties
Names and Identifiers
-
- (3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-hydroxy-2-methyl-8-[(2S)-2-methylbutano yl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
- 3'alpha-Isopravastatin
- SHW904Q14D
- SQ 31906
- R 418
- 1-Naphthaleneheptanoic acid, 1,2,3,7,8,8a-hexahydro-beta,delta,3-trihydroxy-2-methyl-8-((2S)-2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2R,3S,8S,8aR)-
- Q27289216
-
- Inchi： 1S/C23H36O7/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-3H3,(H,27,28)/t13-,14+,16+,17+,18-,19+,20-,22-/m0/s1
- InChI Key： HIZIJHNJVQOXLO-YMUQFYNDSA-N
- SMILES： O(C([C@@H](C)CC)=O)[C@H]1CC=CC2=C[C@H]([C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12)O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 656
- Topological Polar Surface Area: 124
3'alpha-Isopravastatin Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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