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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 C16H18N2OS
Molecular Weight 286.392
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
D213B92S1Y
Record Status Validated (UNII)
Record Version