| Synonyms |
GSK2838232; GSK-2838232; GSK 2838232; 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dime |
| IUPAC Name |
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid |
| Molecular Weight |
809.56 |
| Molecular Formula |
C48H73ClN2O6 |
| Canonical SMILES |
CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(CN(CCN(C)C)CC6=CC=C(C=C6)Cl)O)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C |
| InChI |
1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,3 |
| InChIKey |
MEOWKUXNVNJAMY-PZFKGGKESA-N |
| Boiling Point |
817.1±65.0 °C | Condition: Press: 760 Torr |
| Flash Point |
448.0±34.3 °C |
| Purity |
99.34% |
| Density |
1.17±0.1 g/cm3 |
| Solubility |
Soluble in DMSO |
| Appearance |
White to off-white Solid |
| Application |
Anti-HIV Agents |
| Shelf Life |
2 years |
| Storage |
Store in a cool and dry place and at 0 - 4°C for short term (days to weeks) or -56°C for long term (months to years). |
| Complexity |
1560 |
| Exact Mass |
808.5157157 |
| Index Of Refraction |
1.577 |
| Target |
HIV |
| Vapor Pressure |
0.0±3.1 mmHg at 25°C |
| XLogP3-AA |
7.2 |
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