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Details

Stereochemistry RACEMIC
Molecular Formula C18H20N2O2.C7H8O3S
Molecular Weight 468.565
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN2CCC(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=IKZMNXCISGAFDD-UHFFFAOYSA-N
InChI=1S/C18H20N2O2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,17H,12-14H2,1H3;2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

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 ( + / - )

Molecular Formula C7H8O3S
Molecular Weight 172.202
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 Sat Dec 16 01:52:10 GMT 2023
Edited
by admin
on Sat Dec 16 01:52:10 GMT 2023
Record UNII
8931S3231M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-3-PYRROLIDYL N,N-DIPHENYLCARBAMATE TOSYLATE
Systematic Name English
1-METHYL-3-PYRROLIDYL N,N-DIPHENYLCARBAMATE TOSYLATE, (±)-
Systematic Name English
CARBAMIC ACID, DIPHENYL-, 1-METHYL-3-PYRROLIDINYL ESTER, P-TOLUENESULFONATE
Common Name English
Code System Code Type Description
CAS
988-77-2
Created by admin on Sat Dec 16 01:52:10 GMT 2023 , Edited by admin on Sat Dec 16 01:52:10 GMT 2023
PRIMARY
FDA UNII
8931S3231M
Created by admin on Sat Dec 16 01:52:10 GMT 2023 , Edited by admin on Sat Dec 16 01:52:10 GMT 2023
PRIMARY
PUBCHEM
71586771
Created by admin on Sat Dec 16 01:52:10 GMT 2023 , Edited by admin on Sat Dec 16 01:52:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE