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Details

Stereochemistry RACEMIC
Molecular Formula C16H17BrClN3O3.ClH
Molecular Weight 451.142
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HALOFUGINONE HYDROCHLORIDE

SMILES

Cl.O[C@H]1CCCN[C@@H]1CC(=O)CN2C=NC3=CC(Br)=C(Cl)C=C3C2=O

InChI

InChIKey=XFFYBQUXAJOKAL-LIOBNPLQSA-N
InChI=1S/C16H17BrClN3O3.ClH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H/t14-,15+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H17BrClN3O3
Molecular Weight 414.681
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:26 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:26 UTC 2023
Record UNII
48NFA5XJV4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HALOFUGINONE HYDROCHLORIDE
Common Name English
4(3H)-QUINAZOLINONE, 7-BROMO-6-CHLORO-3-(3-((2R,3S)-3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-, HYDROCHLORIDE (1:1), REL-
Systematic Name English
Code System Code Type Description
CAS
1217623-74-9
Created by admin on Sat Dec 16 19:07:26 UTC 2023 , Edited by admin on Sat Dec 16 19:07:26 UTC 2023
PRIMARY
PUBCHEM
60196305
Created by admin on Sat Dec 16 19:07:26 UTC 2023 , Edited by admin on Sat Dec 16 19:07:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID9046863
Created by admin on Sat Dec 16 19:07:26 UTC 2023 , Edited by admin on Sat Dec 16 19:07:26 UTC 2023
PRIMARY
FDA UNII
48NFA5XJV4
Created by admin on Sat Dec 16 19:07:26 UTC 2023 , Edited by admin on Sat Dec 16 19:07:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE