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3-Cis-Hydroxyglipizide

CAT: 1596-AR-G02289-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02289-02Size:25 Units
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CAS Number
38207-37-3
Synonyms
1-[4-[2- (5-Methylpyrazine-2-carboxamido) ethyl]phenylsulfonyl]-3- (3-cis-hydroxycyclohexyl) urea
Molecular Formula
C21H27N5O5S
Molecular Weight
461.54
API Name
Glipizide

Chemical Information

cis-3'-Glipizide
CAS Number38207-37-3
PubChem CID156596469
IUPAC NameN-[2-[4-[[(1R,3S)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-5-methylpyrazine-2-carboxamide
Molecular FormulaC21H27N5O5S
Molecular Weight461.5
XLogP0.8
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity735
SMILES
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@@H]3CCC[C@@H](C3)O
InChI
InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-10-9-15-5-7-18(8-6-15)32(30,31)26-21(29)25-16-3-2-4-17(27)11-16/h5-8,12-13,16-17,27H,2-4,9-11H2,1H3,(H,22,28)(H2,25,26,29)/t16-,17+/m1/s1
InChIKey
GZLIUWBDTXQVBY-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of cis-3'-Glipizide
CAS: 38207-37-3
CID: 156596469
Formula: C21H27N5O5S
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP30.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass461.17329015
Monoisotopic Mass461.17329015
Topological Polar Surface Area159 Ų
Heavy Atom Count32
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes