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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H31N3O
Molecular Weight 365.5117
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTODESNITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=C1C=CC=C3

InChI

InChIKey=MXCQZQAWFBUAJT-UHFFFAOYSA-N
InChI=1S/C23H31N3O/c1-5-25(6-2)15-16-26-22-10-8-7-9-21(22)24-23(26)17-19-11-13-20(14-12-19)27-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C23H31N3O
Molecular Weight 365.5117
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 19:09:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:09:37 GMT 2023
Record UNII
4BT3F5A8T6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTODESNITAZENE
Common Name English
1H-BENZIMIDAZOLE-1-ETHANAMINE, N,N-DIETHYL-2-((4-(1-METHYLETHOXY)PHENYL)METHYL)
Systematic Name English
Code System Code Type Description
FDA UNII
4BT3F5A8T6
Created by admin on Sat Dec 16 19:09:37 GMT 2023 , Edited by admin on Sat Dec 16 19:09:37 GMT 2023
PRIMARY
PUBCHEM
162623708
Created by admin on Sat Dec 16 19:09:37 GMT 2023 , Edited by admin on Sat Dec 16 19:09:37 GMT 2023
PRIMARY
CAS
2732926-27-9
Created by admin on Sat Dec 16 19:09:37 GMT 2023 , Edited by admin on Sat Dec 16 19:09:37 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Emax=94.9 relative to Fentanyl
EC50
Related Record Type Details
ACTIVE MOIETY