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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24INO
Molecular Weight 433.3258
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-IODOBENZOVESAMICAL, (-)-

SMILES

O[C@@H]1CC2=C(C[C@H]1N3CCC(CC3)C4=CC=CC=C4)C(I)=CC=C2

InChI

InChIKey=FHYAUNJNVMGZQN-NHCUHLMSSA-N
InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24INO
Molecular Weight 433.3258
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 18:04:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:04:23 GMT 2023
Record UNII
IHV0X7KK9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-IODOBENZOVESAMICAL, (-)-
Common Name English
2-NAPHTHALENOL, 1,2,3,4-TETRAHYDRO-5-IODO-3-(4-PHENYL-1-PIPERIDINYL)-, (2R,3R)-
Systematic Name English
(-)-IBVM
Common Name English
5-IODOBENZOVESAMICOL, L-
Common Name English
5-IODOBENZOVESAMICOL
Common Name English
IBVM
Common Name English
(-)-5-IODOBENZOVESAMICAL
Common Name English
Code System Code Type Description
FDA UNII
IHV0X7KK9B
Created by admin on Sat Dec 16 18:04:23 GMT 2023 , Edited by admin on Sat Dec 16 18:04:23 GMT 2023
PRIMARY
PUBCHEM
124499
Created by admin on Sat Dec 16 18:04:23 GMT 2023 , Edited by admin on Sat Dec 16 18:04:23 GMT 2023
PRIMARY
CAS
128192-12-1
Created by admin on Sat Dec 16 18:04:23 GMT 2023 , Edited by admin on Sat Dec 16 18:04:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID90155836
Created by admin on Sat Dec 16 18:04:23 GMT 2023 , Edited by admin on Sat Dec 16 18:04:23 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED