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1217848-91-3 | rac cis-3-Hydroxy Glyburide-d3,13C
CAS No: 1217848-91-3 Catalog No: AG00160C MDL No:
Product Description
Catalog Number:
AG00160C
Chemical Name:
rac cis-3-Hydroxy Glyburide-d3,13C
CAS Number:
1217848-91-3
Molecular Formula:
C23H25ClD3N3O6S
Molecular Weight:
514.0141
IUPAC Name:
5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
InChI:
InChI=1S/C23H28ClN3O6S/c1-33-21-10-7-16(24)13-20(21)22(29)25-12-11-15-5-8-19(9-6-15)34(31,32)27-23(30)26-17-3-2-4-18(28)14-17/h5-10,13,17-18,28H,2-4,11-12,14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18+/m0/s1/i1+1D3
InChI Key:
VFBAJFAMXTVSQA-YQWZDHMDSA-N
SMILES:
O[C@@H]1CCC[C@@H](C1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cc(Cl)ccc1O[13C]([2H])([2H])[2H]
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
513.161g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
4
Molecular Weight:
514.013g/mol
Monoisotopic Mass:
513.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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