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Details

Stereochemistry RACEMIC
Molecular Formula C40H48Cl2N4O7
Molecular Weight 767.738
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVE-5883

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)N2CCC(CCN3CCC(CC3)(C(=O)N4CCN(CC(O)=O)CC4)C5=CC=CC=C5)(C2)C6=CC(Cl)=C(Cl)C=C6

InChI

InChIKey=SGEPHOCXOUDKRF-UHFFFAOYSA-N
InChI=1S/C40H48Cl2N4O7/c1-51-33-23-28(24-34(52-2)36(33)53-3)37(49)46-18-12-39(27-46,30-9-10-31(41)32(42)25-30)11-15-43-16-13-40(14-17-43,29-7-5-4-6-8-29)38(50)45-21-19-44(20-22-45)26-35(47)48/h4-10,23-25H,11-22,26-27H2,1-3H3,(H,47,48)

HIDE SMILES / InChI

Molecular Formula C40H48Cl2N4O7
Molecular Weight 767.738
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:04:27 UTC 2023
Edited
by admin
on Sat Dec 16 19:04:27 UTC 2023
Record UNII
YA427LW2Y2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVE-5883
Code English
1-PIPERAZINEACETIC ACID, 4-((1-(2-((-3-(3,4-DICHLOROPHENYL)-1-(3,4,5-TRIMETHOXYBENZOYL)-3-PYRROLIDINYL)ETHYL)-4-PHENYL-4-PIPERIDINYL)CARBONYL)-
Common Name English
(4-(1-(23-(3,4-DICHLORO-PHENYL)-1- (3,4,5-TRIMETHOXY-BENZOYL)-PYRROLIDIN-3-YL)-ETHYL)-4-PHENYL-PIPERIDINE4-CARBONYL)-PIPERAZIN-1-YL)-ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
YA427LW2Y2
Created by admin on Sat Dec 16 19:04:27 UTC 2023 , Edited by admin on Sat Dec 16 19:04:27 UTC 2023
PRIMARY
PUBCHEM
44214561
Created by admin on Sat Dec 16 19:04:27 UTC 2023 , Edited by admin on Sat Dec 16 19:04:27 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
ENANTIOMER -> RACEMATE
TARGET -> INHIBITOR
Ki
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ACTIVE MOIETY