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Trans-carboxy glimepiride

CAT: 0926-SYB73904-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-SYB73904-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217739-04-2
Smiles
C1=CC (=C (C (=C1) Cl) F) CN2C=CN=C2
Molecular Formula
C24H32N4O7S
Molecular Weight
520.60 g/mol
Controlled
No

Chemical Information

trans-Carboxy Glimepiride
CAS Number1217739-04-2
PubChem CID10075365
IUPAC Name4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexane-1-carboxylic acid
Molecular FormulaC24H32N4O7S
Molecular Weight520.6
XLogP2.6
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity988
SMILES
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C(=O)O)C
InChI
InChI=1S/C24H32N4O7S/c1-3-20-15(2)14-28(21(20)29)24(33)25-13-12-16-4-10-19(11-5-16)36(34,35)27-23(32)26-18-8-6-17(7-9-18)22(30)31/h4-5,10-11,17-18H,3,6-9,12-14H2,1-2H3,(H,25,33)(H,30,31)(H2,26,27,32)
InChIKey
MMZLACCSCMGVHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-Carboxy Glimepiride
CAS: 1217739-04-2
CID: 10075365
Formula: C24H32N4O7S
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass520.19917055
Monoisotopic Mass520.19917055
Topological Polar Surface Area170 Ų
Heavy Atom Count36
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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