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

Details

Stereochemistry RACEMIC
Molecular Formula C19H28N2O3.H2O4S
Molecular Weight 430.516
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AL-1612 MONOSULPHATE

SMILES

OS(O)(=O)=O.CCC1=C(C)NC2=C1C(=O)C(CN3CCC4(CC3)OCCO4)CC2

InChI

InChIKey=XIOFDUIWDPOVBA-UHFFFAOYSA-N
InChI=1S/C19H28N2O3.H2O4S/c1-3-15-13(2)20-16-5-4-14(18(22)17(15)16)12-21-8-6-19(7-9-21)23-10-11-24-19;1-5(2,3)4/h14,20H,3-12H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
AL-1612 MONOSULPHATE
Common Name English
3-ETHYL-6,7-DIHYDRO-2-METHYL-5-(4,4-ETHYLENEDIOXYPIPERIDINOMETHYL)-INDOLE-4(5H)-ONE MONOSULFATE
Preferred Name English
4H-INDOL-4-ONE, 5-(1,4-DIOXA-8-AZASPIRO(4.5)DEC-8-YLMETHYL)-3-ETHYL-1,5,6,7-TETRAHYDRO-2-METHYL-, SULFATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
38821-47-5
Created by admin on Mon Mar 31 21:43:25 GMT 2025 , Edited by admin on Mon Mar 31 21:43:25 GMT 2025
PRIMARY
PUBCHEM
121488136
Created by admin on Mon Mar 31 21:43:25 GMT 2025 , Edited by admin on Mon Mar 31 21:43:25 GMT 2025
PRIMARY
FDA UNII
2H4494TB3B
Created by admin on Mon Mar 31 21:43:25 GMT 2025 , Edited by admin on Mon Mar 31 21:43:25 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of AL-1612
SUBSTANCE RECORD
Structure of AL-1612 MONOSULPHATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966