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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19Cl2N3O.2ClH
Molecular Weight 401.159
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERSIPOROCIN HYDROCHLORIDE

SMILES

Cl.Cl.O[C@H]1CCCN[C@@H]1CCCN2C=NC3=C2C=CC(Cl)=C3Cl

InChI

InChIKey=IRXIQKZBDWHEFL-FZIZHOOBSA-N
InChI=1S/C15H19Cl2N3O.2ClH/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11;;/h5-6,9,11,13,18,21H,1-4,7-8H2;2*1H/t11-,13+;;/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 C15H19Cl2N3O
Molecular Weight 328.237
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:08:18 GMT 2023
Edited
by admin
on Sat Dec 16 16:08:18 GMT 2023
Record UNII
Q1X50E5QJL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERSIPOROCIN HYDROCHLORIDE
Common Name English
(2R,3S)-2-(3-(4,5-DICHLORO-1H-BENZO(D)IMIDAZOL-1-YL)PROPYL)PIPERIDIN-3-OL HYDROGEN CHLORIDE
Systematic Name English
DWN-12088 HYDROCHLORIDE
Code English
(2R,3S)-2-(3-(4,5-DICHLORO-1H-BENZO(D)IMIDAZOL-1-YL)PROPYL)PIPERIDIN-3-OL HYDROCHLORIDE
Systematic Name English
(2R,3S)-2-(3-(4,5-DICHLORO-1H-BENZO(D)IMIDAZOL-1-YL)PROPYL)PIPERIDIN-3-OL DIHYDROCHLORIDE
Systematic Name English
DWN12088 HYDROCHLORIDE
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 817121
Created by admin on Sat Dec 16 16:08:18 GMT 2023 , Edited by admin on Sat Dec 16 16:08:18 GMT 2023
FDA ORPHAN DRUG 701419
Created by admin on Sat Dec 16 16:08:18 GMT 2023 , Edited by admin on Sat Dec 16 16:08:18 GMT 2023
Code System Code Type Description
CAS
2241808-53-5
Created by admin on Sat Dec 16 16:08:18 GMT 2023 , Edited by admin on Sat Dec 16 16:08:18 GMT 2023
PRIMARY
PUBCHEM
142746502
Created by admin on Sat Dec 16 16:08:18 GMT 2023 , Edited by admin on Sat Dec 16 16:08:18 GMT 2023
PRIMARY
FDA UNII
Q1X50E5QJL
Created by admin on Sat Dec 16 16:08:18 GMT 2023 , Edited by admin on Sat Dec 16 16:08:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY