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Details

Stereochemistry RACEMIC
Molecular Formula C18H21N2OS.Br
Molecular Weight 393.341
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENTHIMENTONIUM BROMIDE

SMILES

[Br-].CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C13)[N+](C)(C)C

InChI

InChIKey=RLTKVEPESLKRSA-UHFFFAOYSA-M
InChI=1S/C18H21N2OS.BrH/c1-13(20(2,3)4)18(21)19-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19;/h5-13H,1-4H3;1H/q+1;/p-1

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 C18H21N2OS
Molecular Weight 313.437
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:06:56 GMT 2025
Edited
by admin
on Mon Mar 31 21:06:56 GMT 2025
Record UNII
YEV5Y7RD0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENTHIMENTONIUM BROMIDE
Common Name English
NSC-40034
Preferred Name English
ASTRA-1470
Common Name English
10H-PHENOTHIAZINE-10-ETHANAMINIUM, N,N,N,.ALPHA.-TETRAMETHYL-.BETA.-OXO-, BROMIDE (1:1)
Systematic Name English
(1-(10-PHENOTHIAZINYLCARBONYL)ETHYL)TRIMETHYLAMMONIUM BROMIDE
Systematic Name English
10-(2-DIMETHYLAMINOPROPIONYL)PHENOTHIAZINE METHOBROMIDE
Common Name English
Code System Code Type Description
NSC
40034
Created by admin on Mon Mar 31 21:06:56 GMT 2025 , Edited by admin on Mon Mar 31 21:06:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID401043376
Created by admin on Mon Mar 31 21:06:56 GMT 2025 , Edited by admin on Mon Mar 31 21:06:56 GMT 2025
PRIMARY
PUBCHEM
9277
Created by admin on Mon Mar 31 21:06:56 GMT 2025 , Edited by admin on Mon Mar 31 21:06:56 GMT 2025
PRIMARY
CAS
298-48-6
Created by admin on Mon Mar 31 21:06:56 GMT 2025 , Edited by admin on Mon Mar 31 21:06:56 GMT 2025
PRIMARY
FDA UNII
YEV5Y7RD0L
Created by admin on Mon Mar 31 21:06:56 GMT 2025 , Edited by admin on Mon Mar 31 21:06:56 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY