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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C28H44N4O8.C10H18O4
Molecular Weight 1331.5894
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIZAGLIFLOZIN SEBACATE

SMILES

OC(=O)CCCCCCCCC(O)=O.CC(C)C1=C(CC2=C(C)C=C(OCCCNCC(C)(C)C(N)=O)C=C2)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NN1.CC(C)C4=C(CC5=C(C)C=C(OCCCNCC(C)(C)C(N)=O)C=C5)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=NN4

InChI

InChIKey=DBOBAIHRZONIPT-GHCHSQRSSA-N
InChI=1S/2C28H44N4O8.C10H18O4/c2*1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2*7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32);1-8H2,(H,11,12)(H,13,14)/t2*20-,22-,23+,24-,26+;/m11./s1

HIDE SMILES / InChI

Molecular Formula C10H18O4
Molecular Weight 202.2475
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H44N4O8
Molecular Weight 564.671
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:04:18 GMT 2023
Edited
by admin
on Sat Dec 16 15:04:18 GMT 2023
Record UNII
2WK4SY5QHO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIZAGLIFLOZIN SEBACATE
Common Name English
GSK-16142353 SEBACATE
Code English
DECANEDIOIC ACID, COMPD. WITH 3-((3-(4-((3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-(1-METHYLETHYL)-1H-PYRAZOL-4-YL)METHYL)-3-METHYLPHENOXY)PROPYL)AMINO)-2,2-DIMETHYLPROPANAMIDE (1:2)
Common Name English
GSK-1614235
Code English
DSP-3235
Code English
GSK1614235
Code English
DSP-3235 SEBACATE
Code English
KGA-3235 SEBACATE
Code English
KWA-0711 SEBACATE
Code English
Code System Code Type Description
PUBCHEM
44129176
Created by admin on Sat Dec 16 15:04:18 GMT 2023 , Edited by admin on Sat Dec 16 15:04:18 GMT 2023
PRIMARY
FDA UNII
2WK4SY5QHO
Created by admin on Sat Dec 16 15:04:18 GMT 2023 , Edited by admin on Sat Dec 16 15:04:18 GMT 2023
PRIMARY
CAS
1169392-27-1
Created by admin on Sat Dec 16 15:04:18 GMT 2023 , Edited by admin on Sat Dec 16 15:04:18 GMT 2023
PRIMARY
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