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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N2OS.BrH
Molecular Weight 367.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIFITHRIN-.ALPHA.

SMILES

Br.CC1=CC=C(C=C1)C(=O)CN2C(=N)SC3=C2CCCC3

InChI

InChIKey=HAGVCKULCLQGRF-UHFFFAOYSA-N
InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H

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 C16H18N2OS
Molecular Weight 286.392
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:52:46 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:46 GMT 2023
Record UNII
D213B92S1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIFITHRIN-.ALPHA.
MI  
Common Name English
ETHANONE, 1-(4-METHYLPHENYL)-2-(4,5,6,7-TETRAHYDRO-2-IMINO-3(2H)-BENZOTHIAZOLYL)-, HYDROBROMIDE (1:1)
Systematic Name English
1-(4-METHYLPHENYL)-2-(4,5,6,7-TETRAHYDRO-2-IMINO-3(2H)-BENZOTHIAZOLYL)ETHANONE HYDROBROMIDE (1:1)
Systematic Name English
PFT-.ALPHA.
Common Name English
PIFITHRIN
Common Name English
PIFITHRIN-.ALPHA. [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10432994
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY
MERCK INDEX
m8803
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY Merck Index
CAS
63208-82-2
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY
WIKIPEDIA
Pifithrin
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY
PUBCHEM
9929138
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY
FDA UNII
D213B92S1Y
Created by admin on Sat Dec 16 09:52:46 GMT 2023 , Edited by admin on Sat Dec 16 09:52:46 GMT 2023
PRIMARY
NIH
NCATS
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