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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32N2O6
Molecular Weight 480.5528
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-114009

SMILES

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

InChI

InChIKey=UYPPDNXTLSUNRF-HSQYWUDLSA-N
InChI=1S/C27H32N2O6/c1-5-35-27(32)21(12-11-18-9-7-6-8-10-18)29-17(2)25(30)28-16-20-15-24(34-4)23(33-3)14-19(20)13-22(28)26(29)31/h6-10,14-15,17,21-22H,5,11-13,16H2,1-4H3/t17-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32N2O6
Molecular Weight 480.5528
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 Thu Jul 06 15:28:59 UTC 2023
Edited
by admin
on Thu Jul 06 15:28:59 UTC 2023
Record UNII
6SJ97G618S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-114009
Common Name English
MOEXIPRIL RELATED COMPOUND B [USP-RS]
Common Name English
(S)-ETHYL 2-((3S,11AS)-8,9-DIMETHOXY-3-METHYL-1,4-DIOXO-3,4-DIHYDRO-1H-PYRAZINO(1,2-B)ISOQUINOLIN-2(6H,11H,11AH)-YL)-4-PHENYLBUTANOATE
Systematic Name English
MOEXIPRIL RELATED COMPOUND B [USP IMPURITY]
Common Name English
MOEXIPRIL RELATED COMPOUND B
USP   USP-RS  
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)-, ETHYL ESTER, (.ALPHA.S,3S,11AS)-
Systematic Name English
DIKETOPIPERAZINE MOEXIPRIL
Common Name English
Code System Code Type Description
FDA UNII
6SJ97G618S
Created by admin on Thu Jul 06 15:28:59 UTC 2023 , Edited by admin on Thu Jul 06 15:28:59 UTC 2023
PRIMARY
RS_ITEM_NUM
1445619
Created by admin on Thu Jul 06 15:28:59 UTC 2023 , Edited by admin on Thu Jul 06 15:28:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID40146037
Created by admin on Thu Jul 06 15:28:59 UTC 2023 , Edited by admin on Thu Jul 06 15:28:59 UTC 2023
PRIMARY
CAS
103733-51-3
Created by admin on Thu Jul 06 15:28:59 UTC 2023 , Edited by admin on Thu Jul 06 15:28:59 UTC 2023
PRIMARY
PUBCHEM
71750760
Created by admin on Thu Jul 06 15:28:59 UTC 2023 , Edited by admin on Thu Jul 06 15:28:59 UTC 2023
PRIMARY
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