AHR-5859 FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H26ClN3O2.C4H4O4
Molecular Weight	467.943
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.COC1=C(C=C(Cl)C(N)=C1)C(=O)NC2CCN(C2)C3CCCCC3

InChI

InChIKey=GPAYQWCBDCAQTE-WLHGVMLRSA-N

InChI=1S/C18H26ClN3O2.C4H4O4/c1-24-17-10-16(20)15(19)9-14(17)18(23)21-12-7-8-22(11-12)13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,23);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	C18H26ClN3O2
Molecular Weight	351.871
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:23:33 GMT 2023` Edited by `admin` on `Fri Dec 15 15:23:33 GMT 2023`
Record UNII	Y3VIX05GSO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AHR-5859 FUMARATE

Code

English

BENZAMIDE, 4-AMINO-5-CHLORO-N-(1-CYCLOHEXYL-3-PYRROLIDINYL)-2-METHOXY-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

12861946

Created by admin on Fri Dec 15 15:23:33 GMT 2023 , Edited by admin on Fri Dec 15 15:23:33 GMT 2023

PRIMARY

FDA UNII

Y3VIX05GSO

Created by admin on Fri Dec 15 15:23:33 GMT 2023 , Edited by admin on Fri Dec 15 15:23:33 GMT 2023

PRIMARY

CAS

56706-58-2

Created by admin on Fri Dec 15 15:23:33 GMT 2023 , Edited by admin on Fri Dec 15 15:23:33 GMT 2023

NON-SPECIFIC STOICHIOMETRY

CAS

50734-37-7

Created by admin on Fri Dec 15 15:23:33 GMT 2023 , Edited by admin on Fri Dec 15 15:23:33 GMT 2023

PRIMARY

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