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

Details

Stereochemistry ACHIRAL
Molecular Formula C44H42N6O
Molecular Weight 670.8439
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Triphenylmethyl Irbesartan

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChIKey=NDTNRUYCXAKMPU-UHFFFAOYSA-N
InChI=1S/C44H42N6O/c1-2-3-25-40-45-43(30-15-16-31-43)42(51)49(40)32-33-26-28-34(29-27-33)38-23-13-14-24-39(38)41-46-48-50(47-41)44(35-17-7-4-8-18-35,36-19-9-5-10-20-36)37-21-11-6-12-22-37/h4-14,17-24,26-29H,2-3,15-16,25,30-32H2,1H3

HIDE SMILES / InChI

Molecular Formula C44H42N6O
Molecular Weight 670.8439
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:46:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:46:40 GMT 2023
Record UNII
U6395CND2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Triphenylmethyl Irbesartan
Common Name English
1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]
Systematic Name English
2-Butyl-3-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Systematic Name English
Code System Code Type Description
CAS
886999-35-5
Created by admin on Sat Dec 16 19:46:40 GMT 2023 , Edited by admin on Sat Dec 16 19:46:40 GMT 2023
PRIMARY
FDA UNII
U6395CND2V
Created by admin on Sat Dec 16 19:46:40 GMT 2023 , Edited by admin on Sat Dec 16 19:46:40 GMT 2023
PRIMARY
PUBCHEM
44558243
Created by admin on Sat Dec 16 19:46:40 GMT 2023 , Edited by admin on Sat Dec 16 19:46:40 GMT 2023
PRIMARY