| SpectraBase Spectrum ID |
JIEQ1B8SkNs |
| Name |
Bunazosin |
| CAS Registry Number |
80755-51-7 |
| Classification |
Pharmaceutical drug, alpha-1-antagonist anti-hypertonic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
373.211389746 u |
| Formula |
C19H27N5O3 |
| InChI |
InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22) |
| InChIKey |
RHLJLALHBZGAFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
373.457 g/mol |
| Nominal Mass |
373 u |
| Quality |
933 |
| Retention Index |
3097 |
| SMILES |
NC=1C=2C(N=C(N3CCN(C(CCC)=O)CCC3)N1)=CC(=C(C2)OC)OC |
| SPLASH |
splash10-00ea-0193000000-5bc97ce81eb6924332ae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bunazocine
1-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009225 |
