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Indinavir sulfate
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

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