| SpectraBase Compound ID | Dj6YHhUUAKi |
|---|---|
| InChI | InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1 |
| InChIKey | NUBQKPWHXMGDLP-BDEHJDMKSA-N |
| Mol Weight | 711.88 g/mol |
| Molecular Formula | C36H49N5O8S |
| Exact Mass | 711.330185 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 6LNavn7JqPF |
|---|---|
| Name | Indinavir sulfate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 15150 |
| Lot Number | 0471930-14 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| CAS Registry Number | 157810-81-6 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H49N5O8S |
| IUPAC Name | 2,3,5-Trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-D-erythro-pentonamide, monosulfate |
| InChI | InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1 |
| InChIKey | NUBQKPWHXMGDLP-BDEHJDMKSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C([C@@](C[C@@](CN1CCN(C[C@]1(C(=O)NC(C)(C)C)[H])Cc1cnccc1)(O)[H])(Cc1ccccc1)[H])=O)[C@@]1([C@@](Cc2c1cccc2)(O)[H])[H].OS(=O)(=O)O |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Crixivan; L-735,524; MK-639 |
| Technique | ATR-Neat |