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MK-8141

CAT: 0931-T24478-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24478-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
903579-36-2
Target
Others
Related Pathways
Others
Bioactivity
MK-8141 is a renin inhibitor. It displays some antihypertensive efficacy in hypertensive patients.
Smiles
C(N(CC1=C(C)C(C)=CC=C1)C2CC2)(=O)C3=C(C[C@]4(N[C@@]3(CNC4)[H])[H])C5=CC=C(OCCOC6=C(Cl)C=C(C)C=C6Cl)C=C5
Molecular Formula
C35H39Cl2N3O3
Molecular Weight
620.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MK-8141

renin inhibitor; structure in first source

CAS Number903579-36-2
PubChem CID11671739
IUPAC NameN-cyclopropyl-7-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Molecular FormulaC35H39Cl2N3O3
Molecular Weight620.6
XLogP6.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity971
SMILES
CC1=C(C(=CC=C1)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)C5=CC=C(C=C5)OCCOC6=C(C=C(C=C6Cl)C)Cl)C
InChI
InChI=1S/C35H39Cl2N3O3/c1-21-15-30(36)34(31(37)16-21)43-14-13-42-28-11-7-24(8-12-28)29-17-26-18-38-19-32(39-26)33(29)35(41)40(27-9-10-27)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,15-16,26-27,32,38-39H,9-10,13-14,17-20H2,1-3H3
InChIKey
VKBBVOVNGWGZCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK-8141
CAS: 903579-36-2
CID: 11671739
Formula: C35H39Cl2N3O3
MW: 620.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.6
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass619.2368475
Monoisotopic Mass619.2368475
Topological Polar Surface Area62.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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