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Details

Stereochemistry RACEMIC
Molecular Formula C23H30N2O.2ClH
Molecular Weight 423.419
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AD-1211 DIHYDROCHLORIDE

SMILES

Cl.Cl.CC(C)=CCN1CCN(CC1)C(CC2=CC(O)=CC=C2)C3=CC=CC=C3

InChI

InChIKey=JAAZBMNGGQYSHW-UHFFFAOYSA-N
InChI=1S/C23H30N2O.2ClH/c1-19(2)11-12-24-13-15-25(16-14-24)23(21-8-4-3-5-9-21)18-20-7-6-10-22(26)17-20;;/h3-11,17,23,26H,12-16,18H2,1-2H3;2*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 C23H30N2O
Molecular Weight 350.4971
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:45:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:45:00 GMT 2023
Record UNII
5AGW9W2HVA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AD-1211 DIHYDROCHLORIDE
Code English
PHENOL, 3-(2-(4-(3-METHYL-2-BUTEN-1-YL)-1-PIPERAZINYL)-2-PHENYLETHYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
10410036
Created by admin on Sat Dec 16 18:45:00 GMT 2023 , Edited by admin on Sat Dec 16 18:45:00 GMT 2023
PRIMARY
CAS
61311-22-6
Created by admin on Sat Dec 16 18:45:00 GMT 2023 , Edited by admin on Sat Dec 16 18:45:00 GMT 2023
PRIMARY
FDA UNII
5AGW9W2HVA
Created by admin on Sat Dec 16 18:45:00 GMT 2023 , Edited by admin on Sat Dec 16 18:45:00 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY