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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N2O4
Molecular Weight 420.5008
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-109488

SMILES

[H][C@@]12CC3=C(CN1C(=O)[C@H](C)N([C@@H](CCC4=CC=CC=C4)C(=O)OCC)C2=O)C=CC=C3

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 420.5008
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 Dec 16 09:57:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:57:45 GMT 2023
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 [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
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
QUINAPRIL RELATED COMPOUND A [USP IMPURITY]
Common Name English
(-)-PD-109488
Common Name English
QUINAPRIL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
QUINAPRIL RELATED COMPOUND A
USP   USP-RS  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20146035
Created by admin on Sat Dec 16 09:57:45 GMT 2023 , Edited by admin on Sat Dec 16 09:57:45 GMT 2023
PRIMARY
FDA UNII
482564RI35
Created by admin on Sat Dec 16 09:57:45 GMT 2023 , Edited by admin on Sat Dec 16 09:57:45 GMT 2023
PRIMARY
RS_ITEM_NUM
1593412
Created by admin on Sat Dec 16 09:57:45 GMT 2023 , Edited by admin on Sat Dec 16 09:57:45 GMT 2023
PRIMARY
CAS
103733-49-9
Created by admin on Sat Dec 16 09:57:45 GMT 2023 , Edited by admin on Sat Dec 16 09:57:45 GMT 2023
PRIMARY
PUBCHEM
29986779
Created by admin on Sat Dec 16 09:57:45 GMT 2023 , Edited by admin on Sat Dec 16 09:57:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP