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TRO-40303

CAT: 0013-GTR19242462-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242462-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRO-40303 is a cardioprotective small molecule that functions by inhibiting mitochondrial permeability transition pore (mPTP) opening. It has demonstrated protective effects in research models of myocardial ischemia-reperfusion injury, applicable for both in vitro and in vivo experimental studies.
CAS Number
14291-24-8
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) ([C@] (CCCO) (C) \C (=N\O) \CC3) [H]) [H]) (CC[C@@]2 ([C@@H] (CCCC (C) C) C) [H]) [H]
Molecular Formula
C26H47NO2
Molecular Weight
405.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tro-40303

TRO40303 is under investigation in clinical trial NCT01374321 (Safety and Efficacy Study of TRO40303 for Reduction of Reperfusion Injury in Patients Undergoing Percutaneous Coronary Intervention for Acute Myocardial Infarction).

CAS Number14291-24-8
PubChem CID117902620
IUPAC Name3-[(3R,3aR,5aS,6R,7E,9aS,9bS)-7-hydroxyimino-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propan-1-ol
Molecular FormulaC26H47NO2
Molecular Weight405.7
XLogP7.9
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC/C(=N\O)/[C@]3(C)CCCO)C
InChI
InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1
InChIKey
OBKBVSFXEIFOMS-YVABUZGXSA-N
Chemical Structure
2D Structure
2D structure of Tro-40303
CAS: 14291-24-8
CID: 117902620
Formula: C26H47NO2
MW: 405.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.7
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass405.360679742
Monoisotopic Mass405.360679742
Topological Polar Surface Area52.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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