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

Details

Stereochemistry UNKNOWN
Molecular Formula C18H16N4
Molecular Weight 288.3464
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRTEMAZOLE, (+)-

SMILES

CC1=NC2=C(N1)C=C(C=C2)C(N3C=CN=C3)C4=CC=CC=C4

InChI

InChIKey=DCGOMTSIZLGUOK-UHFFFAOYSA-N
InChI=1S/C18H16N4/c1-13-20-16-8-7-15(11-17(16)21-13)18(22-10-9-19-12-22)14-5-3-2-4-6-14/h2-12,18H,1H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H16N4
Molecular Weight 288.3464
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:17:51 UTC 2023
Edited
by admin
on Sat Dec 16 10:17:51 UTC 2023
Record UNII
ZPE7CM7FNG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRTEMAZOLE, (+)-
Common Name English
1H-BENZIMIDAZOLE, 5-(1H-IMIDAZOL-1-YLPHENYLMETHYL)-2-METHYL-, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZPE7CM7FNG
Created by admin on Sat Dec 16 10:17:51 UTC 2023 , Edited by admin on Sat Dec 16 10:17:51 UTC 2023
PRIMARY
CAS
115576-85-7
Created by admin on Sat Dec 16 10:17:51 UTC 2023 , Edited by admin on Sat Dec 16 10:17:51 UTC 2023
PRIMARY
PUBCHEM
71330
Created by admin on Sat Dec 16 10:17:51 UTC 2023 , Edited by admin on Sat Dec 16 10:17:51 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER