Desthiazolylmethyl ritonavir

HCID 45038913

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Basic information

CAS: 256328-82-2
Standard SMILES: CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@@H]2OC(=O)N[C@H]2Cc2ccccc2)C(C)C)cs1
InChIKey: YIFUFODEQQNFLV-AMEOFWRWSA-N
Molecular formula: C33H43N5O4S
Average molar mass: 605.8 g/mol
Monoisotopic mass: 605.30357604

Names & identifiers

Preferred name: Desthiazolylmethyl ritonavir
IUPAC: (2S)-N-[(2S)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
English name: Desthiazolylmethyl ritonavir
Molecular formula: C33H43N5O4S
Molecular weight: 605.79

Names & synonyms

Desthiazolylmethyl Ritonavir256328-82-2UNII-J289RGF13SJ289RGF13SRitonavir specified impurity L [EP](2S)-N-[(2S)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamideDTXSID00180311(4S,5S)-4-Benzyl-5-((2S)-2-(((2S)-3-methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoyl)amino)-3-phenylpropyl)oxazolidin-2-oneButanamide, 3-methyl-2-(((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)amino)-N-((1S)-1-(((4S,5S)-2-oxo-4-(phenylmethyl)-5-oxazolidinyl)methyl)-2-phenylethyl)-, (2S)-RITONAVIR IMPURITY L [EP IMPURITY]RITONAVIR IMPURITY L (EP IMPURITY)Ritonavir impurity, oxazolidinone derivative-(USP)

Show more names

Ritonavir EP IMP LRITOVIR IMPURITY LRitonavirEP ImpurityLRitonavir Impurity 12Desthiazolylmethyl RitonaviRitonavir EP Impurity L(BP Impurity L)Ritonavir Impurity 12(Ritonavir EP Impurity L)Ritonavir EP Impurity L/Oxazolidinone Ritonavi/Desthiazolylmethyl RitonavirRitonavir EP Impurity L/ Oxazolidinone Ritonavir (Desthiazolylmethyl Ritonavir)

Ritonavir impurity, oxazolidinone derivative-[USP]RITONAVIR IMPURITY, OXAZOLIDINONE DERIVATIVE-(USP IMPURITY)RITONAVIR IMPURITY, OXAZOLIDINONE DERIVATIVE-[USP IMPURITY](2S)-N-((2S)-1-((4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl)-3-phenylpropan-2-yl)-3-methyl-2-((methyl-((2-propan-2-yl-1,3-thiazol-4-yl)methyl)carbamoyl)amino)butanamideRefChem:132307Ritonavir specified impurity LDTXCID10102802Ritonavir EP Impurity L

Database identifiers

CAS: 256328-82-2
PubChem CID: 45038913
DTXSID: DTXSID00180311
UNII: J289RGF13S
Nikkaji: J3.400.976G

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 141 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 43
Formal charge: 0
Complexity: 908

Physicochemical properties

Melting point: 65 · 65-69°C
Boiling point: 874 · 874.0±65.0 °C(Predicted)
Density: 1.185 · 1.185±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
form: Solid
pka: 12.4 · 12.40±0.46(Predicted)
color: White to Off-White
FDA UNII: 289 RGF13S · J289RGF13S
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 351 · H351-H361
Precautionary statements: 201 · P201-P202-P280-P308+P313-P405-P501

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

Signal word: Warning
Symbol(GHS): GHS08
Hazard statements: H351-H361
Precautionary statements: P201-P202-P280-P308+P313-P405-P501

Chemistry & industry

Applications

UsesDesthiazolylmethyl Ritonavir (Ritonavir EP Impurity L) is an analogue of the selective HIV protease inhibitor Ritonavir (R535000). It is a COVID19-related research product.

Suppliers64 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

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Compound notes

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