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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28N.Br
Molecular Weight 362.347
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMEPRONIUM BROMIDE, (S)-

SMILES

[Br-].CC[N+](C)(C)[C@@H](C)CC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=UVKFSMBPRQBNCH-LMOVPXPDSA-M
InChI=1S/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1/t17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H28N
Molecular Weight 282.443
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:13 UTC 2023
Edited
by admin
on Sat Dec 16 10:18:13 UTC 2023
Record UNII
W4853B47NP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMEPRONIUM BROMIDE, (S)-
Common Name English
BENZENEPROPANAMINIUM, N-ETHYL-N,N,.ALPHA.-TRIMETHYL-.GAMMA.-PHENYL-, BROMIDE, (S)-
Systematic Name English
(S)-EMEPRONIUM BROMIDE
Common Name English
Code System Code Type Description
PUBCHEM
76960985
Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023
PRIMARY
CAS
118413-52-8
Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023
PRIMARY
FDA UNII
W4853B47NP
Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER