i
indinavir
Chemical compound
Also known as L-735524 · MK-639 · IDV · (1(1S,2R),5(S))-2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-pentonamide · indinavir anhydrous
- Formula
- C₃₆H₄₇N₅O₄
1
- C₃₆H₄₇N₅O₄
- Mass
- 613.363 Da
1
- 613.363 Da
Overview
Chemistry
All data
84 statements · 65% with external sources · numbers in brackets are citations
- Canonical SMILES
- CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
1
- CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
- Isomeric SMILES
- CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
1
- CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
- Defined daily dose
- 2.4 g route of administration: oral administration
- Subject has role
- protease inhibitor
2
Sources- 1.Stated in NDF-RTRetrieved 2018-03-05
- 2.Stated in Medical Subject HeadingsRetrieved 2018-03-15
- WHO essential medicines
- protease inhibitor
- LiverTox likelihood score
- LiverTox toxicity likelihood category C
1
Sources- 1.Stated in LiverToxncbi.nlm.nih.gov/books/n/livertox/IndinavirRetrieved 2021-04-08
- LiverTox toxicity likelihood category C
- Subclass of
- pyridine alkaloid
- piperazine alkaloid
- protease inhibitor
1
Sources- 1.hiv.ch/rubriken/therapie/medikamente/idv.htmRetrieved 2024-01-17
- Short name
- IDV
1
Sources- 1.hiv.ch/rubriken/therapie/medikamente/idv.htmRetrieved 2024-01-17
- IDV
- Different from
- IDV applies to name of subject: IDV · criterion used: short name, acronym, initialism, or abbreviation not unique
On other databases
37 identifiers linking indinavir across the web's reference databases
- ATC codeJ05AE02
- CAS Registry Number150378-17-9
- ChEBI ID44032
- ChEMBL IDCHEMBL115
- ChemSpider ID4515036
- DeCS ID32993
- DrugBank IDDB00224
- DrugCentral ID1437
- DSSTOX compound identifierDTXCID2023802
- DSSTox substance IDDTXSID4043802
- Electronic Essential Medicines List medicine ID487
- Encyclopædia Britannica Online IDtopic/indinavir
- Freebase ID/m/09_kgb
- Human Metabolome Database IDHMDB0014369
- InChIInChI=1S/C36H47N5O4/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/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
- InChIKeyCBVCZFGXHXORBI-PXQQMZJSSA-N
- KBpedia IDIndinavir
- KEGG IDC07051
- LiverTox IDIndinavir
- MassBank accession IDMSBNK-Waters-WA000783
- MedlinePlus drug identifiera696028
- MeSH descriptor IDD019469
- MeSH tree codeD03.383.725.385
- Microsoft Academic ID (discontinued)2777210460
- NDF-RT IDN0000022031
- NIAID ChemDB ID005824
- OpenAlex IDC2777210460
- PDB ligand IDMK1
- PDB structure ID1K6C
- Probes And Drugs IDPD010161
- PubChem CID5362440
- RxNorm CUI1546024
- SureChEMBL ID6317
- UniChem compound ID172942
- UNII9MG78X43ZT
- WikiProjectMed IDIndinavir
- WordNet 3.1 Synset ID03573610-n