Cas no 95066-49-2 (Conoduramine; O-De-Me)
Conoduramine; O-De-Me structure
Product Name:Conoduramine; O-De-Me
CAS No:95066-49-2
MF:C42H50N4O5
MW:690.87021112442
CID:6668067
Update Time:2024-03-02
Conoduramine; O-De-Me Chemical and Physical Properties
Names and Identifiers
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- Conoduramine; O-De-Me
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- Inchi： 1S/C42H50N4O5/c1-6-23-14-22-19-42(41(49)51-5)38-26(12-13-46(20-22)39(23)42)28-16-29(35(47)18-33(28)44-38)30-15-27-24(7-2)21-45(3)34(36(27)40(48)50-4)17-31-25-10-8-9-11-32(25)43-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-44,47H,6,12-15,17,19-21H2,1-5H3/b24-7+/t22-,23+,27-,30-,34-,36-,39+,42+/m0/s1
- InChI Key： MWTHBNIWYPKNEY-QOGVLUFHSA-N
- SMILES： [C@H]12C[C@@H](CC)[C@@H]3[C@@](C(OC)=O)(C1)C1=C(CCN3C2)C2C(=CC(O)=C(C=2)[C@H]2C3NC4C=CC=CC=4C=3C[C@@H]3N(C/C(/[C@@H]([C@@H]3C(OC)=O)C2)=C\C)C)N1
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 51
- XLogP3: 4.011
Conoduramine; O-De-Me Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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