| SpectraBase Spectrum ID |
Hwvq2MoXb0i |
| Name |
7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| CAS Registry Number |
13460-98-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21N5O5 |
| InChI |
InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3 |
| InChIKey |
WMCMJIGLYZDKRN-UHFFFAOYSA-N |
| Molecular Weight |
375.385 g/mol |
| SMILES |
N(CC[n]1cnc2c1C(N(C)C(N2C)=O)=O)CC(c1ccc(c(c1)O)O)O |
| SPLASH |
splash10-05a6-0910000000-830cd72af683ba44d949 |
| Source of Spectrum |
CJ-0-52-0 |
| Synonyms |
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]ethyl]-1,3-dimethyl-xanthine
7-[2-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione
Theodrenaline |
| Wiley ID |
1357108 |
![7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/Hwvq2MoXb0i/structure.png?h=300&w=458 "7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
