.ALPHA.-(1-METHYL-3-PYRROLIDYL)-.ALPHA.,.ALPHA.-DIPHENYL-N,N-DIMETHYLACETAMIDE FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H26N2O.C4H4O4
Molecular Weight	438.5161
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure of .ALPHA.-(1-METHYL-3-PYRROLIDYL)-.ALPHA.,.ALPHA.-DIPHENYL-N,N-DIMETHYLACETAMIDE FUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN(C)C(=O)C(C1CCN(C)C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=PIXDJBKFTOWUQF-WLHGVMLRSA-N

InChI=1S/C21H26N2O.C4H4O4/c1-22(2)20(24)21(17-10-6-4-7-11-17,18-12-8-5-9-13-18)19-14-15-23(3)16-19;5-3(6)1-2-4(7)8/h4-13,19H,14-16H2,1-3H3;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	C21H26N2O
Molecular Weight	322.4439
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 15:11:28 UTC 2023` Edited by `admin` on `Fri Dec 15 15:11:28 UTC 2023`
Record UNII	NS1JT3F4LZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-(1-METHYL-3-PYRROLIDYL)-.ALPHA.,.ALPHA.-DIPHENYL-N,N-DIMETHYLACETAMIDE FUMARATE

Systematic Name

English

3-3-PYRROLIDINEACETAMIDE, N,N,1-TRIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-, FUMARATE (1:1)

Common Name

English

3-PYRROLIDINEACETAMIDE, N,N,1-TRIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

N,N-DIMETHYL-2-(1-METHYLPYRROLIDIN-3-YL)-2,2-DIPHENYL-ACETAMIDE FUMARATE

Systematic Name

English

N,N,1-TRIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-3-PYRROLIDINEACETAMIDE FUMARATE

Systematic Name

English

Code System Code Type Description

CAS

912-03-8

Created by admin on Fri Dec 15 15:11:28 UTC 2023 , Edited by admin on Fri Dec 15 15:11:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID90274531

Created by admin on Fri Dec 15 15:11:28 UTC 2023 , Edited by admin on Fri Dec 15 15:11:28 UTC 2023

PRIMARY

PUBCHEM

23617302

Created by admin on Fri Dec 15 15:11:28 UTC 2023 , Edited by admin on Fri Dec 15 15:11:28 UTC 2023

PRIMARY

FDA UNII

NS1JT3F4LZ

Created by admin on Fri Dec 15 15:11:28 UTC 2023 , Edited by admin on Fri Dec 15 15:11:28 UTC 2023

PRIMARY

Related Record Type Details


					SV24V1QAB0

.ALPHA.-(1-METHYL-3-PYRROLIDYL)-.ALPHA.,.ALPHA.-DIPHENYL-N,N-DIMETHYLACETAMIDE

PARENT -> SALT/SOLVATE


					88XHZ13131

Fumaric acid

PARENT -> SALT/SOLVATE