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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27N7O3
Molecular Weight 473.5279
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CD-1790

SMILES

CC#CCn1c2c(nc1N3CCC[C@@]([H])(C3)O)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

InChI

InChIKey=QAHWUJQHJPWQGS-KRWDZBQOSA-N
InChI=1S/C25H27N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11,17,33H,8-9,12-15H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27N7O3
Molecular Weight 473.5279
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:15:39 UTC 2021
Edited
by admin
on Sat Jun 26 05:15:39 UTC 2021
Record UNII
L920390BEX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CD-1790
Common Name English
CD 1790
Common Name English
LINAGLIPTIN METABOLITE M474(1)
Common Name English
7-BUT-2-YNYL-8-(3S-HYDROXY-PIPERIDIN-1-YL)-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
Systematic Name English
3-DE(AMINE)-3-HYDROXY LINAGLIPTIN, (3S)-
Common Name English
Code System Code Type Description
FDA UNII
L920390BEX
Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021
PRIMARY
PUBCHEM
72202338
Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021
PRIMARY
CAS
1620278-39-8
Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021
PRIMARY
Related Record Type Details
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