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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

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

Approval Year

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 GMT 2023 , Edited by admin on Fri Dec 15 15:11:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID90274531
Created by admin on Fri Dec 15 15:11:28 GMT 2023 , Edited by admin on Fri Dec 15 15:11:28 GMT 2023
PRIMARY
PUBCHEM
23617302
Created by admin on Fri Dec 15 15:11:28 GMT 2023 , Edited by admin on Fri Dec 15 15:11:28 GMT 2023
PRIMARY
FDA UNII
NS1JT3F4LZ
Created by admin on Fri Dec 15 15:11:28 GMT 2023 , Edited by admin on Fri Dec 15 15:11:28 GMT 2023
PRIMARY