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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N2O2.ClH
Molecular Weight 384.899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7U85 HYDROCHLORIDE

SMILES

Cl.CN1C2=C(C=C(CNC(C)(CO)CO)C=C2)C3=C1C=CC4=C3C=CC=C4

InChI

InChIKey=ABKIVLVKVDITIK-UHFFFAOYSA-N
InChI=1S/C22H24N2O2.ClH/c1-22(13-25,14-26)23-12-15-7-9-19-18(11-15)21-17-6-4-3-5-16(17)8-10-20(21)24(19)2;/h3-11,23,25-26H,12-14H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H24N2O2
Molecular Weight 348.4382
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 Wed Apr 02 01:09:37 GMT 2025
Edited
by admin
on Wed Apr 02 01:09:37 GMT 2025
Record UNII
926G9I8LVC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-PROPANEDIOL, 2-METHYL-2-(((7-METHYL-7H-BENZO(C)CARBAZOL-10-YL)METHYL)AMINO)-, HYDROCHLORIDE (1:1)
Preferred Name English
7U85 HYDROCHLORIDE
Code English
Code System Code Type Description
FDA UNII
926G9I8LVC
Created by admin on Wed Apr 02 01:09:37 GMT 2025 , Edited by admin on Wed Apr 02 01:09:37 GMT 2025
PRIMARY
PUBCHEM
14373556
Created by admin on Wed Apr 02 01:09:37 GMT 2025 , Edited by admin on Wed Apr 02 01:09:37 GMT 2025
PRIMARY
CAS
120097-92-9
Created by admin on Wed Apr 02 01:09:37 GMT 2025 , Edited by admin on Wed Apr 02 01:09:37 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE