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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO3S
Molecular Weight 401.562
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APD-916

SMILES

COCCCS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(CCN3CCC[C@H]3C)C=C2

InChI

InChIKey=ADRZQEOBUFIYAZ-LJQANCHMSA-N
InChI=1S/C23H31NO3S/c1-19-5-3-15-24(19)16-14-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28(25,26)18-4-17-27-2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H31NO3S
Molecular Weight 401.562
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 16 21:28:55 UTC 2022
Edited
by admin
on Fri Dec 16 21:28:55 UTC 2022
Record UNII
10521U3EQA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APD-916
Code English
PYRROLIDINE, 1-(2-(4'-((3-METHOXYPROPYL)SULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)-2-METHYL-, (2R)-
Systematic Name English
Code System Code Type Description
CAS
1021169-11-8
Created by admin on Fri Dec 16 21:28:55 UTC 2022 , Edited by admin on Fri Dec 16 21:28:55 UTC 2022
PRIMARY
PUBCHEM
24900259
Created by admin on Fri Dec 16 21:28:55 UTC 2022 , Edited by admin on Fri Dec 16 21:28:55 UTC 2022
PRIMARY
FDA UNII
10521U3EQA
Created by admin on Fri Dec 16 21:28:55 UTC 2022 , Edited by admin on Fri Dec 16 21:28:55 UTC 2022
PRIMARY
EPA CompTox
DTXSID40144654
Created by admin on Fri Dec 16 21:28:55 UTC 2022 , Edited by admin on Fri Dec 16 21:28:55 UTC 2022
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET->INVERSE AGONIST
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ACTIVE MOIETY