| SpectraBase Spectrum ID |
Ku5PgYdZff6 |
| Name |
(6aS,8R)-2-methyl-8-oxidanyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-7-2-3-10-9(4-7)13(18)15-6-8(16)5-11(15)12(17)14-10/h2-4,8,11,16H,5-6H2,1H3,(H,14,17)/t8-,11+/m1/s1 |
| InChIKey |
IHDDVNKTIFTWMH-KCJUWKMLSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
N1c2c(C(N3C[C@@](C[C@]3(C1=O)[H])(O)[H])=O)cc(cc2)C |
| SPLASH |
splash10-0002-0090000000-50fad79d8e8229d11e02 |
| Source of Spectrum |
H1-51-1264-16 |
| Synonyms |
(6aS,8R)-8-hydroxy-2-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
(6aS,8R)-8-hydroxy-2-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone |
| Wiley ID |
817122 |
![(2R,11AS)-7-METHYL-2-HYDROXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE](/api/spectrum/Ku5PgYdZff6/structure.png?h=300&w=458 "(2R,11AS)-7-METHYL-2-HYDROXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE")
