U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14NO.Br
Molecular Weight 232.118
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Hydroxy-N,N,N-trimethylbenzenaminium bromide

SMILES

[Br-].C[N+](C)(C)C1=CC=CC(O)=C1

InChI

InChIKey=MKRZGVCMTCPWHY-UHFFFAOYSA-N
InChI=1S/C9H13NO.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H14NO
Molecular Weight 152.2136
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:16:16 GMT 2025
Edited
by admin
on Mon Mar 31 19:16:16 GMT 2025
Record UNII
8BBF2W6V08
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(M-HYDROXYPHENYL)TRIMETHYLAMMONIUM BROMIDE
Preferred Name English
3-Hydroxy-N,N,N-trimethylbenzenaminium bromide
Systematic Name English
AMMONIUM, (M-HYDROXYPHENYL)TRIMETHYL-, BROMIDE
Systematic Name English
NEOSTIGMINE BROMIDE IMPURITY A [EP IMPURITY]
Common Name English
BENZENAMINIUM, 3-HYDROXY-N,N,N-TRIMETHYL-, BROMIDE
Systematic Name English
BENZENAMINIUM, 3-HYDROXY-N,N,N-TRIMETHYL-, BROMIDE (1:1)
Systematic Name English
3-HYDROXYPHENYLTRIMETHYLAMMONIUM BROMIDE
Systematic Name English
Code System Code Type Description
CAS
1620-19-5
Created by admin on Mon Mar 31 19:16:16 GMT 2025 , Edited by admin on Mon Mar 31 19:16:16 GMT 2025
PRIMARY
FDA UNII
8BBF2W6V08
Created by admin on Mon Mar 31 19:16:16 GMT 2025 , Edited by admin on Mon Mar 31 19:16:16 GMT 2025
PRIMARY
MESH
C001420
Created by admin on Mon Mar 31 19:16:16 GMT 2025 , Edited by admin on Mon Mar 31 19:16:16 GMT 2025
PRIMARY
PUBCHEM
15383
Created by admin on Mon Mar 31 19:16:16 GMT 2025 , Edited by admin on Mon Mar 31 19:16:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID50936623
Created by admin on Mon Mar 31 19:16:16 GMT 2025 , Edited by admin on Mon Mar 31 19:16:16 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY