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GSK2838232 50mg

CAT: 0628-A15965-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15965-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443461-21-9

Chemical Information

HIV-1 inhibitor-60
CAS Number1443461-21-9
PubChem CID89634981
IUPAC Name4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(3-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 FormulaC48H73ClN2O6
Molecular Weight809.6
XLogP7.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1570
SMILES
CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)[C@H](CN(CCN(C)C)CC6=CC(=CC=C6)Cl)O)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C
InChI
InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(24-23-50(10)11)28-31-13-12-14-32(49)25-31)22-21-46(8)33(41(40)48)15-16-36-45(7)19-18-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)17-20-47(36,46)9/h12-14,25,30,33,35-38,53H,15-24,26-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
InChIKey
DSNMRZSQABDJDK-PZFKGGKESA-N
Chemical Structure
2D Structure
2D structure of HIV-1 inhibitor-60
CAS: 1443461-21-9
CID: 89634981
Formula: C48H73ClN2O6
MW: 809.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight809.6
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass808.5157157
Monoisotopic Mass808.5157157
Topological Polar Surface Area107 Ų
Heavy Atom Count57
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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