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Details

Stereochemistry ACHIRAL
Molecular Formula C31H30N8O2
Molecular Weight 545.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KR-31173 C-11

SMILES

CCCCC1=NC2=C(N=C(CO[11CH3])C(=C2)C3=CC=CC=[N+]3[O-])N1CC4=CC=C(C=C4)C5=C(C=CC=C5)C6=NN=NN6

InChI

InChIKey=KTIHPEHEYAUWHK-JVVVGQRLSA-N
InChI=1S/C31H30N8O2/c1-3-4-12-29-32-26-18-25(28-11-7-8-17-39(28)40)27(20-41-2)33-31(26)38(29)19-21-13-15-22(16-14-21)23-9-5-6-10-24(23)30-34-36-37-35-30/h5-11,13-18H,3-4,12,19-20H2,1-2H3,(H,34,35,36,37)/i2-1

HIDE SMILES / InChI

Molecular Formula C31H30N8O2
Molecular Weight 545.623
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:40 UTC 2023
Edited
by admin
on Sat Dec 16 15:32:40 UTC 2023
Record UNII
RKV5T25OVU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KR-31173 C-11
Code English
2-BUTYL-5-(11C)METHOXYMETHYL-6-(1-OXOPYRIDIN-2-YL)-3-((2-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)-3H-IMIDAZO(4,5-B)PYRIDINE
Common Name English
11C-KR31173
Code English
3H-IMIDAZO(4,5-B)PYRIDINE, 2-BUTYL-5-(METHOXY-11C-METHYL)-6-(1-OXIDO-2-PYRIDINYL)-3-((2'-(1H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
844838-69-3
Created by admin on Sat Dec 16 15:32:40 UTC 2023 , Edited by admin on Sat Dec 16 15:32:40 UTC 2023
PRIMARY
FDA UNII
RKV5T25OVU
Created by admin on Sat Dec 16 15:32:40 UTC 2023 , Edited by admin on Sat Dec 16 15:32:40 UTC 2023
PRIMARY
PUBCHEM
6605257
Created by admin on Sat Dec 16 15:32:40 UTC 2023 , Edited by admin on Sat Dec 16 15:32:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY