NDD-094 FUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11N3.C4H4O4
Molecular Weight	289.2866
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CC1=NC=CN1CC2=CC=CC=N2

InChI

InChIKey=VXGHNCAEIMCDOR-WLHGVMLRSA-N

InChI=1S/C10H11N3.C4H4O4/c1-9-11-6-7-13(9)8-10-4-2-3-5-12-10;5-3(6)1-2-4(7)8/h2-7H,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

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

Molecular Formula	C10H11N3
Molecular Weight	173.2144
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 `Fri Dec 15 15:55:34 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:34 UTC 2023`
Record UNII	F011PM3JM0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NDD-094 FUMARATE

Code

English

PYRIDINE, 2-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

2-(2-METHYLIMIDAZOL-1-YLMETHYL)PYRIDINE FUMARATE

Systematic Name

English

Code System Code Type Description

CAS

862156-56-7

Created by admin on Fri Dec 15 15:55:34 UTC 2023 , Edited by admin on Fri Dec 15 15:55:34 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

F011PM3JM0

Created by admin on Fri Dec 15 15:55:34 UTC 2023 , Edited by admin on Fri Dec 15 15:55:34 UTC 2023

PRIMARY

PUBCHEM

16095350

Created by admin on Fri Dec 15 15:55:34 UTC 2023 , Edited by admin on Fri Dec 15 15:55:34 UTC 2023

PRIMARY

CAS

946148-85-2

Created by admin on Fri Dec 15 15:55:34 UTC 2023 , Edited by admin on Fri Dec 15 15:55:34 UTC 2023

PRIMARY

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