KRN-2391

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9N5O3.CH4O3S
Molecular Weight	331.305
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.[O-][N+](=O)OCC\N=C(/NC#N)C1=CC=CN=C1

InChI

InChIKey=BIBJJSCMCXFMML-UHFFFAOYSA-N

InChI=1S/C9H9N5O3.CH4O3S/c10-7-13-9(8-2-1-3-11-6-8)12-4-5-17-14(15)16;1-5(2,3)4/h1-3,6H,4-5H2,(H,12,13);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C9H9N5O3
Molecular Weight	235.1995
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:43:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:58 GMT 2025`
Record UNII	784TUM2KDR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KRN-2391

Code

English

N-CYANO-N'-(2-NITROXYETHYL)-3-PYRIDINECARBOXIMIDAMIDE METHANESULFONATE

Preferred Name

English

3-PYRIDINECARBOXIMIDAMIDE, N-CYANO-N'-(2-(NITROOXY)ETHYL)-, MONOMETHANESULFONATE

Systematic Name

English

3-PYRIDINECARBOXIMIDAMIDE, N-CYANO-N'-(2-(NITROOXY)ETHYL)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

784TUM2KDR

Created by admin on Mon Mar 31 22:43:58 GMT 2025 , Edited by admin on Mon Mar 31 22:43:58 GMT 2025

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CAS

134431-49-5

Created by admin on Mon Mar 31 22:43:58 GMT 2025 , Edited by admin on Mon Mar 31 22:43:58 GMT 2025

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EPA CompTox

DTXSID40158695

Created by admin on Mon Mar 31 22:43:58 GMT 2025 , Edited by admin on Mon Mar 31 22:43:58 GMT 2025

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PUBCHEM

123957

Created by admin on Mon Mar 31 22:43:58 GMT 2025 , Edited by admin on Mon Mar 31 22:43:58 GMT 2025

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