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

Details

Stereochemistry RACEMIC
Molecular Formula C17H27NO4.ClH
Molecular Weight 345.862
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACC-9369 HYDROCHLORIDE

SMILES

Cl.CCOC(=O)CCC1=C(OCC(O)CNC(C)C)C=CC=C1

InChI

InChIKey=IKFUEAAUZIWSDO-UHFFFAOYSA-N
InChI=1S/C17H27NO4.ClH/c1-4-21-17(20)10-9-14-7-5-6-8-16(14)22-12-15(19)11-18-13(2)3;/h5-8,13,15,18-19H,4,9-12H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C17H27NO4
Molecular Weight 309.4006
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:55 GMT 2023
Record UNII
7GAC818987
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACC-9369 HYDROCHLORIDE
Common Name English
BENZENEPROPANOIC ACID, 2-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, ETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
7GAC818987
Created by admin on Sat Dec 16 08:30:55 GMT 2023 , Edited by admin on Sat Dec 16 08:30:55 GMT 2023
PRIMARY
CAS
286380-57-2
Created by admin on Sat Dec 16 08:30:55 GMT 2023 , Edited by admin on Sat Dec 16 08:30:55 GMT 2023
PRIMARY
PUBCHEM
9928174
Created by admin on Sat Dec 16 08:30:55 GMT 2023 , Edited by admin on Sat Dec 16 08:30:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE