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Aramchol

CAT: 1596-AR-A06938-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06938-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
246529-22-6
Molecular Formula
C44H79NO5
Molecular Weight
702.12
API Name
Aramchol

Chemical Information

(3beta,5beta,7alpha,12alpha)-7,12-Dihydroxy-3-((1-oxoeicosyl)amino)cholan-24-oic acid

Aramchol has been used in trials studying the treatment of HIV, Gallstones, Fatty Liver, Metabolic Syndrome, and Nonalcoholic Steatohepatitis, among others.

CAS Number246529-22-6
PubChem CID18738120
IUPAC Name(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular FormulaC44H79NO5
Molecular Weight702.1
XLogP13.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count23
Heavy Atom Count50
Formal Charge0
Complexity1020
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C
InChI
InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1
InChIKey
SHKXZIQNFMOPBS-OOMQYRRCSA-N
Chemical Structure
2D Structure
2D structure of (3beta,5beta,7alpha,12alpha)-7,12-Dihydroxy-3-((1-oxoeicosyl)amino)cholan-24-oic acid
CAS: 246529-22-6
CID: 18738120
Formula: C44H79NO5
MW: 702.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight702.1
XLogP313.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count23
Exact Mass701.59582462
Monoisotopic Mass701.59582462
Topological Polar Surface Area107 Ų
Heavy Atom Count50
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5752442Aramchol
A20766-100Aramchol 100mg
A20766-50Aramchol 50mg
A20766-5Aramchol 5mg
A20766-25Aramchol 25mg
A20766-2Aramchol 2mg
A20766-10Aramchol 10mg
A20766-10mM-DAramchol 10mM * 1mL in DMSO

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