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Details

Stereochemistry RACEMIC
Molecular Formula C18H20N2O2.C4H4O4
Molecular Weight 412.4358
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-3-PYRROLIDYL N,N-DIPHENYLCARBAMATE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC(C1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=CQZIYGQTPWFGCG-WLHGVMLRSA-N
InChI=1S/C18H20N2O2.C4H4O4/c1-19-13-12-17(14-19)22-18(21)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16;5-3(6)1-2-4(7)8/h2-11,17H,12-14H2,1H3;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 C18H20N2O2
Molecular Weight 296.3636
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 Sat Dec 16 00:21:35 GMT 2023
Edited
by admin
on Sat Dec 16 00:21:35 GMT 2023
Record UNII
9805IFC1KG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-3-PYRROLIDYL N,N-DIPHENYLCARBAMATE FUMARATE
Systematic Name English
1-METHYL-3-PYRROLIDYL N,N-DIPHENYLCARBAMATE FUMARATE, (±)-
Systematic Name English
CARBAMIC ACID, DIPHENYL-, 1-METHYL-3-PYRROLIDINYL ESTER, FUMARATE
Common Name English
CARBAMIC ACID, DIPHENYL-, 1-METHYL-3-PYRROLIDINYL ESTER, FUMARATE (1:1)
Common Name English
Code System Code Type Description
CAS
749-47-3
Created by admin on Sat Dec 16 00:21:35 GMT 2023 , Edited by admin on Sat Dec 16 00:21:35 GMT 2023
PRIMARY
PUBCHEM
71586767
Created by admin on Sat Dec 16 00:21:35 GMT 2023 , Edited by admin on Sat Dec 16 00:21:35 GMT 2023
PRIMARY
FDA UNII
9805IFC1KG
Created by admin on Sat Dec 16 00:21:35 GMT 2023 , Edited by admin on Sat Dec 16 00:21:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE