KR-31173 C-11

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 Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:40 GMT 2023`
Record UNII	RKV5T25OVU
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 15:32:40 GMT 2023

PRIMARY

FDA UNII

RKV5T25OVU

Created by admin on Sat Dec 16 15:32:40 GMT 2023 , Edited by admin on Sat Dec 16 15:32:40 GMT 2023

PRIMARY

PUBCHEM

6605257

Created by admin on Sat Dec 16 15:32:40 GMT 2023 , Edited by admin on Sat Dec 16 15:32:40 GMT 2023

PRIMARY

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