PD-109488

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 Search

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@@H](C)C(=O)N3CC4=C(C[C@H]3C2=O)C=CC=C4

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 `Mon Mar 31 22:55:55 GMT 2025` Edited by `admin` on `Mon Mar 31 22:55:55 GMT 2025`
Record UNII	482564RI35
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PD-109488

Common Name

English

QUINAPRIL RELATED COMPOUND A

Preferred 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

Code System Code Type Description

EPA CompTox

DTXSID20146035