| SpectraBase Compound ID | AIdsyq6Bll9 |
|---|---|
| InChI | InChI=1S/2C9H10N4O4.C4H10N2/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h2*4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2 |
| InChIKey | HAAJFUJFGYCCPU-UHFFFAOYSA-N |
| Mol Weight | 562.54 g/mol |
| Molecular Formula | C22H30N10O8 |
| Exact Mass | 562.224808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CRGwUQ1TmO6 |
|---|---|
| Name | Acepifylline |
| Alternate Name(s) | 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid compd. with piperazine 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid,compound with piperazine (2:1) 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; piperazine 7H-purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with piperazine Acefyllin piperazinate Acefylline piperazine salt Acefyllinpiperazinum Aethaphyllinium Dynaphylline Etafillina Etaphydel Etaphylline Etophylate Minophylline Piperazine 7-theophyllineacetate Piperazine theophylline ethanoate Piperazine theophyllineacetate Theophyllin-7-acetic acid piperazine salt 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid;piperazine 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid;piperazine 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid;piperazine EINECS 242-614-3 |
| CAS Registry Number | 18833-13-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30N10O8 |
| InChI | InChI=1S/2C9H10N4O4.C4H10N2/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h2*4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2 |
| InChIKey | HAAJFUJFGYCCPU-UHFFFAOYSA-N |
| Molecular Weight | 562.544 g/mol |
| SMILES | N1CCNCC1.OC(C[n]1c2c(N(C(N(C)C2=O)=O)C)nc1)=O.OC(C[n]1c2c(N(C(N(C)C2=O)=O)C)nc1)=O |
| SPLASH | splash10-052o-9410000000-9235c474a03cb08ea9a0 |
| Source of Spectrum | JZ-1992-1408-0 |
| Wiley ID | 1406865 |