Cas no 62636-99-1 (7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride)
![7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride structure](https://ossimg.kuujia.com/scimg/63000/62636-99-1x500.png)
62636-99-1 structure
Product Name:7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride
CAS No:62636-99-1
MF:C14H25Cl2N5O4
MW:398.285401105881
CID:437029
Update Time:2023-08-03
7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,7-(2,3-dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-, dihydrochloride
- C14H25Cl2N5O4
- 7-(2,3-dihydroxypropyl)-1-(3-(dimethylamino)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione dihydrochloride
- 7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride
-
- Inchi： 1S/C14H23N5O4.2ClH/c1-16(2)5-4-6-19-13(22)11-12(17(3)14(19)23)15-9-18(11)7-10(21)8-20;;/h9-10,20-21H,4-8H2,1-3H3;2*1H
- InChI Key： JVNNESVBECLFLJ-UHFFFAOYSA-N
- SMILES： Cl.Cl.O=C1C2=C(N=CN2CC(CO)O)N(C)C(N1CCCN(C)C)=O
Computed Properties
- Exact Mass: 397.128
- Monoisotopic Mass: 397.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 447
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102
7-(2,3-Dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione;dihydrochloride Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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