| SpectraBase Spectrum ID |
5Yh3vPlH0fA |
| Name |
Abacavir |
| CAS Registry Number |
136470-78-5 |
| Classification |
Pharmaceutical drug, antiviral |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.154209223 u |
| Formula |
C14H18N6O |
| InChI |
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h5,7,9-10,21H,1-4,6H2,(H3,15,17,18,19) |
| InChIKey |
RSLHYYGEDMXDQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
286.339 g/mol |
| Nominal Mass |
286 u |
| Quality |
999 |
| Retention Index |
2625 |
| SMILES |
NC1=NC(=C2C(N(C3C=C(CO)CC3)C=N2)=N1)NC1CC1 |
| SPLASH |
splash10-004r-2910000000-8f7779cc399df1ea0f36 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Abacavirum
(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-ene-1-methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013729 |
