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Hypoglycemic agent 1

CAT: 0931-T19367-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19367-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2253733-57-0
Target
Others
Related Pathways
Others
Bioactivity
Hypoglycemic agent 1 has an action for lowering blood sugar. It acts as a therapeutic and/or prophylactic agent for diabetes.
Smiles
N(C=1N2C(C(=NN1)C3=C(OCC4COCCO4)C=CC=C3)=CC=C2)C5=C(F)C=C(CC(N)=O)C=C5
Molecular Formula
C25H24FN5O4
Molecular Weight
477.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hypoglycemic agent 1
CAS Number2253733-57-0
PubChem CID142487505
IUPAC Name2-[4-[[1-[2-(1,4-dioxan-2-ylmethoxy)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]-3-fluorophenyl]acetamide
Molecular FormulaC25H24FN5O4
Molecular Weight477.5
XLogP2.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity705
SMILES
C1COC(CO1)COC2=CC=CC=C2C3=NN=C(N4C3=CC=C4)NC5=C(C=C(C=C5)CC(=O)N)F
InChI
InChI=1S/C25H24FN5O4/c26-19-12-16(13-23(27)32)7-8-20(19)28-25-30-29-24(21-5-3-9-31(21)25)18-4-1-2-6-22(18)35-15-17-14-33-10-11-34-17/h1-9,12,17H,10-11,13-15H2,(H2,27,32)(H,28,30)
InChIKey
HMVGORSDUCHZCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hypoglycemic agent 1
CAS: 2253733-57-0
CID: 142487505
Formula: C25H24FN5O4
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass477.18123243
Monoisotopic Mass477.18123243
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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