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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23BrN2O3.BrH
Molecular Weight 452.181
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOREMOXIPRIDE HYDROBROMIDE

SMILES

Br.CCN1CCC[C@H]1CNC(=O)C2=CC(Br)=CC(OC)=C2OC

InChI

InChIKey=AOEBIEBXGASRIN-YDALLXLXSA-N
InChI=1S/C16H23BrN2O3.BrH/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3;/h8-9,12H,4-7,10H2,1-3H3,(H,18,20);1H/t12-;/m0./s1

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 C16H23BrN2O3
Molecular Weight 371.269
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:16:44 UTC 2023
Edited
by admin
on Sat Dec 16 14:16:44 UTC 2023
Record UNII
8EL2VIG507
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOREMOXIPRIDE HYDROBROMIDE
Common Name English
BENZAMIDE, 5-BROMO-N-((1-ETHYL-2-PYRROLIDINYL)METHYL)-2,3-DIMETHOXY-, MONOHYDROBROMIDE, (S)-
Systematic Name English
FLB-457 HYDROBROMIDE
Code English
Code System Code Type Description
FDA UNII
8EL2VIG507
Created by admin on Sat Dec 16 14:16:44 UTC 2023 , Edited by admin on Sat Dec 16 14:16:44 UTC 2023
PRIMARY
CAS
107188-92-1
Created by admin on Sat Dec 16 14:16:44 UTC 2023 , Edited by admin on Sat Dec 16 14:16:44 UTC 2023
PRIMARY
PUBCHEM
46781582
Created by admin on Sat Dec 16 14:16:44 UTC 2023 , Edited by admin on Sat Dec 16 14:16:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID80675896
Created by admin on Sat Dec 16 14:16:44 UTC 2023 , Edited by admin on Sat Dec 16 14:16:44 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
Related Record Type Details
ACTIVE MOIETY