thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate
Ritonavir
CAS: 155213-67-5
Molecular Formula: C37H48N6O5S2
thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate - Names and Identifiers
| Name | Ritonavir |
| Synonyms | RITONAVIR Ritonavir CHEMBRDG-BB 4050354 RARECHEM AL BD 1261 THIAZOL-5-YL-METHANOL 1,3-THIAZOL-5-YLMETHANOL Ritonavir for peak identification thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate N-[(2S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)valinamide N-[(1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl]-N~2~-(methyl{[2-(1-methylethyl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide 1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate 1,3-thiazol-5-ylmethyl n-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate |
| CAS | 155213-67-5 |
| EINECS | 605-001-5 |
| InChI | InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 |
| InChIKey | NCDNCNXCDXHOMX-XGKFQTDJSA-N |
thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate - Physico-chemical Properties
| Molecular Formula | C37H48N6O5S2 |
| Molar Mass | 720.94 |
| Density | 1.239±0.06 g/cm3(Predicted) |
| Melting Point | 120-122°C |
| Boling Point | 947.0±65.0 °C(Predicted) |
| Flash Point | 2℃ |
| Water Solubility | 5mg/L(ms) |
| Solubility | Soluble in methanol, water (partly), ethanol (~5 mg/ml), DMF (~15 mg/ml), and DMSO (100 |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | White powder |
| Color | white to beige |
| Merck | 14,8238 |
| pKa | 11.47±0.46(Predicted) |
| Storage Condition | room temp |
| Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 2 months. |
| Refractive Index | 1.599 |
| MDL | MFCD00927142 |
| Use | Used as an antiviral drug |
thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate - Risk and Safety
| Risk Codes | R36/38 - Irritating to eyes and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36/37 - Wear suitable protective clothing and gloves. S39 - Wear eye / face protection. |
| UN IDs | UN 1648 3 / PGII |
| WGK Germany | 3 |
| RTECS | XA5310000 |
| HS Code | 29341000 |
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