KR-31080

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H28N8O
Molecular Weight	516.5963
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=NC2=CC(=C(C)N=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C6=[N+]([O-])C=CC=C6

InChI

InChIKey=DCYGPXCSWDZTIF-UHFFFAOYSA-N

InChI=1S/C30H28N8O/c1-3-4-12-28-32-26-18-25(27-11-7-8-17-38(27)39)20(2)31-30(26)37(28)19-21-13-15-22(16-14-21)23-9-5-6-10-24(23)29-33-35-36-34-29/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,33,34,35,36)

HIDE SMILES / InChI

Molecular Formula	C30H28N8O
Molecular Weight	516.5963
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 `Wed Apr 02 12:58:50 GMT 2025` Edited by `admin` on `Wed Apr 02 12:58:50 GMT 2025`
Record UNII	C39RW7KT94
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KR31080

Preferred Name

English

KR-31080

Code

English

SK-1080

Code

English

2-(2-BUTYL-5-METHYL-3-((2'-(1H-1,2,3,4-TETRAZOL-5-YL)-(1,1'-BIPHENYL)-4-YL)METHYL)-3H-IMIDAZO(4,5-B)PYRIDIN-6-YL)PYRIDIN-1-IUM-1-OLATE

Systematic Name

English

3H-IMIDAZO(4,5-B)PYRIDINE, 2-BUTYL-5-METHYL-6-(1-OXIDO-2-PYRIDINYL)-3-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

174800-22-7

Created by admin on Wed Apr 02 12:58:50 GMT 2025 , Edited by admin on Wed Apr 02 12:58:50 GMT 2025

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FDA UNII

C39RW7KT94

Created by admin on Wed Apr 02 12:58:50 GMT 2025 , Edited by admin on Wed Apr 02 12:58:50 GMT 2025

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PUBCHEM

9806587

Created by admin on Wed Apr 02 12:58:50 GMT 2025 , Edited by admin on Wed Apr 02 12:58:50 GMT 2025

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Related Record Type Details


					C39RW7KT94

KR-31080

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