Indinavir hydrate
Basic information
- CAS
180683-37-8- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O- InChIKey
XTYSXGHMTNTKFH-BDEHJDMKSA-N- Molecular formula
- C36H49N5O5
- Average molar mass
- 631.8 g/mol
- Monoisotopic mass
- 631.37336968
Overview
See also: Indinavir Sulfate (annotation moved to); Indinavir (annotation moved to).
Names & identifiers
- Preferred name
- Indinavir hydrate
- IUPAC
- (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;hydrate
- English name
- INDINAVIR (100 MG)F0D3080.971MG/MG(AI)
- Molecular formula
- C36H49N5O5
- Molecular weight
- 631.82
Names & synonyms
Indinavir hydrateINDINAVIR (100 MG)F0D3080.971MG/MG(AI)Indinavir (USAN)Indinavir [USAN]Indinavir [USAN:INN:BAN](2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;hydrate(alphaR,gammaS,2S)-alpha-Benzyl-2-(tert-butylcarbamoyl)-gamma-hydroxy-N-((1S,2R)-2-hydroxy-1-indanyl)-4-(3-pyridylmethyl)-1-piperazinevaleramide monohydrateUNII-5W6YA9PKKH(alphaR,gammaS,2S)-alpha-Benzyl-2-(tert-butylcarbamoyl)-gamma-hydroxy-N-[(1S,2R)-2-hydroxy-1-indanyl]-4-(3-pyridylmethyl)-1-piperazinevaleramide monohydrateINDINAVIR [VANDF]INDINAVIR [USP-RS]Indinavir (1339178)
Show more names
Indinavir CRSIndinavir (100 mg)Indinavir monohydrateIndinavir for system suitability CRSIndinavir System Suitability (100 mg)Indinavir System Suitability (1339189)
orb1739314SCHEMBL8305088CHEMBL5483011DTXSID7023144XTYSXGHMTNTKFH-BDEHJDMKSA-NINDINAVIR MONOHYDRATE [WHO-DD]FI176213INDINAVIR SYSTEM SUITABILITY [USP-RS]
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 952
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- XTYSXGHMTNTKFH-BDEHJDMKSA-N
- SMILES
- N4([C@@H](CN(CC4)Cc5cnccc5)C(=O)NC(C)(C)C)C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]1[C@@H](Cc2c1cccc2)O.O
- FDA UNII
- 5 W6YA9PKKH · 5W6YA9PKKH
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P332+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933595960 · 2933595960
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933595960
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
Chemistry & industry
Applications
UsesAntiviral.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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