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MK 0434

CAT: 0127-BUP02676-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02676-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134067-56-4
Synonyms
MK0434, MK-0434, MK 434, MK434, MK-434
Purity
=98%
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)C=C4)[H])(CC1)[H])[H])(CC[C@@H]2C(=O)C5=CC=CC=C5)[H]

Chemical Information

MK-0434
CAS Number134067-56-4
PubChem CID131705
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-benzoyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Molecular FormulaC25H31NO2
Molecular Weight377.5
XLogP4.1
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C4=CC=CC=C4)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI
InChI=1S/C25H31NO2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(27)26-21)18(24)9-10-20(24)23(28)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,26,27)/t17-,18-,19-,20+,21+,24-,25+/m0/s1
InChIKey
ZYTQEOWFSVTRLX-QKONGSNMSA-N
Chemical Structure
2D Structure
2D structure of MK-0434
CAS: 134067-56-4
CID: 131705
Formula: C25H31NO2
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass377.235479232
Monoisotopic Mass377.235479232
Topological Polar Surface Area46.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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