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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N2O6
Molecular Weight 452.5006
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIKETOPIPERAZINE MOEXIPRILAT

SMILES

C[C@@]1([H])C(=O)N2Cc3cc(c(cc3C[C@@]2([H])C(=O)N1[C@@]([H])(CCc4ccccc4)C(=O)O)OC)OC

InChI

InChIKey=IIPIDAGAGXRRKJ-YSSFQJQWSA-N
InChI=1S/C25H28N2O6/c1-15-23(28)26-14-18-13-22(33-3)21(32-2)12-17(18)11-20(26)24(29)27(15)19(25(30)31)10-9-16-7-5-4-6-8-16/h4-8,12-13,15,19-20H,9-11,14H2,1-3H3,(H,30,31)/t15-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28N2O6
Molecular Weight 452.5006
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:10:29 UTC 2021
Edited
by admin
on Sat Jun 26 11:10:29 UTC 2021
Record UNII
J90D0W173C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIKETOPIPERAZINE MOEXIPRILAT
Common Name English
2H-PYRAZINO(1,2-B)ISOQUINOLINE-2-ACETIC ACID, 1,3,4,6,11,11A-HEXAHYDRO-8,9-DIMETHOXY-3-METHYL-1,4-DIOXO-.ALPHA.-(2-PHENYLETHYL)-, (.ALPHA.S,3S,11AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
J90D0W173C
Created by admin on Sat Jun 26 11:10:29 UTC 2021 , Edited by admin on Sat Jun 26 11:10:29 UTC 2021
PRIMARY
PUBCHEM
91810603
Created by admin on Sat Jun 26 11:10:29 UTC 2021 , Edited by admin on Sat Jun 26 11:10:29 UTC 2021
PRIMARY
CAS
112468-23-2
Created by admin on Sat Jun 26 11:10:29 UTC 2021 , Edited by admin on Sat Jun 26 11:10:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; PLASMA; URINE