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rac trans-Hydroxy Glimepiride-d5

CAT: 0572-TRC-H942532-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942532-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189980-46-8
Synonyms
3-(Ethyl-d5)-2,5-dihydro-N-[2-[4-[[[[[trans-4-(hydroxymethyl)cyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-1H-pyrrole-1-carboxamide;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O=C(NC1CCC(CO)CC1)NS(C2=CC=C(CCNC(N3CC(C)=C(C([2H])([2H])C([2H])([2H])[2H])C3=O)=O)C=C2)(=O)=O
Molecular Formula
C24H29D5N4O6S
Molecular Weight
511.65
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

rac trans-Hydroxy Glimepiride-d5
CAS Number1189980-46-8
PubChem CID57369389
IUPAC NameN-[2-[4-[[4-(hydroxymethyl)cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-3-methyl-5-oxo-4-(1,1,2,2,2-pentadeuterioethyl)-2H-pyrrole-1-carboxamide
Molecular FormulaC24H34N4O6S
Molecular Weight511.6
XLogP2.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity913
SMILES
[2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)CO)C
InChI
InChI=1S/C24H34N4O6S/c1-3-21-16(2)14-28(22(21)30)24(32)25-13-12-17-6-10-20(11-7-17)35(33,34)27-23(31)26-19-8-4-18(15-29)5-9-19/h6-7,10-11,18-19,29H,3-5,8-9,12-15H2,1-2H3,(H,25,32)(H2,26,27,31)/i1D3,3D2
InChIKey
YUNQMQLWOOVHKI-WNWXXORZSA-N
Chemical Structure
2D Structure
2D structure of rac trans-Hydroxy Glimepiride-d5
CAS: 1189980-46-8
CID: 57369389
Formula: C24H34N4O6S
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass511.25128972
Monoisotopic Mass511.25128972
Topological Polar Surface Area153 Ų
Heavy Atom Count35
Formal Charge0
Complexity913
Isotope Atom Count5
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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