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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N2O4
Molecular Weight 420.5018
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-109488

SMILES

CCOC(=O)[C@]([H])(CCc1ccccc1)N2[C@@]([H])(C)C(=O)N3Cc4ccccc4C[C@@]3([H])C2=O

InChI

InChIKey=NDDYKENLGBOEPD-HSQYWUDLSA-N
InChI=1S/C25H28N2O4/c1-3-31-25(30)21(14-13-18-9-5-4-6-10-18)27-17(2)23(28)26-16-20-12-8-7-11-19(20)15-22(26)24(27)29/h4-12,17,21-22H,3,13-16H2,1-2H3/t17-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28N2O4
Molecular Weight 420.5018
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 07:33:37 UTC 2021
Edited
by admin
on Sat Jun 26 07:33:37 UTC 2021
Record UNII
482564RI35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-109488
Common Name English
2H-PYRAZINO(1,2-B)ISOQUINOLINE-2-ACETIC ACID, 1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-.ALPHA.-(2-PHENYLETHYL)-, ETHYL ESTER, (.ALPHA.S,3S,11AS)-
Systematic Name English
QUINAPRIL RELATED COMPOUND A RS [USP]
Common Name English
QUINAPRIL RELATED COMPOUND A [USP-RS]
Common Name English
ETHYL(3S-(2(R*),3A,11A BETA))-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENYLETHYL)-2H-PYRAZINO(1,2-B)ISOQUINOLINE-2-ACETATE
Common Name English
QUINAPRIL RELATED COMPOUND A [USP]
Common Name English
ETHYL (2S)-2-((3S,11AS)-3-METHYL-1,4-DIOXO-1,3,4,6,11,11AHEXAHYDRO-2H-PYRAZINO(1,2-B)ISOQUINOLIN-2-YL)-4-PHENYLBUTANOATE
Systematic Name English
(-)-PD-109488
Common Name English
QUINAPRIL HYDROCHLORIDE SPECIFIED IMPURITY D [EP]
Common Name English
QUINAPRIL RELATED COMPOUND A
USP   USP-RS  
Common Name English
Code System Code Type Description
USP_CATALOG
1593412
Created by admin on Sat Jun 26 07:33:37 UTC 2021 , Edited by admin on Sat Jun 26 07:33:37 UTC 2021
PRIMARY USP-RS
EPA CompTox
103733-49-9
Created by admin on Sat Jun 26 07:33:37 UTC 2021 , Edited by admin on Sat Jun 26 07:33:37 UTC 2021
PRIMARY
FDA UNII
482564RI35
Created by admin on Sat Jun 26 07:33:37 UTC 2021 , Edited by admin on Sat Jun 26 07:33:37 UTC 2021
PRIMARY
CAS
103733-49-9
Created by admin on Sat Jun 26 07:33:37 UTC 2021 , Edited by admin on Sat Jun 26 07:33:37 UTC 2021
PRIMARY
PUBCHEM
29986779
Created by admin on Sat Jun 26 07:33:37 UTC 2021 , Edited by admin on Sat Jun 26 07:33:37 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP