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6,7-Dehydro Gliclazide

CAT: 0572-TRC-D229450-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229450-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1808087-53-7
Synonyms
6,7-Dehydro Gliclazide; Benzenesulfonamide, 4-methyl-N-[[[(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-2(1H)-yl]amino]carbonyl]-, rel- (ACI); rel-4-Methyl-N-[[[(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-2(1H)-yl]amino]carbonyl]benzenesulfonamide (ACI)
Hazard Statement
No Data Available
Smiles
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@@H]3CC=C[C@@H]3C2
Molecular Formula
C15 H19 N3 O3 S
Molecular Weight
321.395
InChI
InChI=1S/C15H19N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h2-3,5-8,12-13H,4,9-10H2,1H3,(H2,16,17,19)/t12-,13+/m1/s1
Additionnal Information
IUPAC name: 1-(4-methylphenyl)sulfonyl-3-[rac-(3aR,6aS)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]urea

Chemical Information

6,7-Dehydro Gliclazide
CAS Number1808087-53-7
PubChem CID125302923
IUPAC Name1-[(3aS,6aR)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonylurea
Molecular FormulaC15H19N3O3S
Molecular Weight321.4
XLogP2.6
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity547
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2C[C@@H]3CC=C[C@@H]3C2
InChI
InChI=1S/C15H19N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h2-3,5-8,12-13H,4,9-10H2,1H3,(H2,16,17,19)/t12-,13+/m1/s1
InChIKey
AFTMPFJWAIDLME-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dehydro Gliclazide
CAS: 1808087-53-7
CID: 125302923
Formula: C15H19N3O3S
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass321.11471265
Monoisotopic Mass321.11471265
Topological Polar Surface Area86.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity547
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

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