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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N4O3.ClH.2H2O
Molecular Weight 470.99
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENERISANT HYDROCHLORIDE DIHYDRATE

SMILES

O.O.Cl.C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4

InChI

InChIKey=KAHPJCXENVTTHA-YTNSDAIYSA-N
InChI=1S/C22H30N4O3.ClH.2H2O/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25;;;/h5-8,16-18H,2-4,9-15H2,1H3;1H;2*1H2/t18-;;;/m1.../s1

HIDE SMILES / InChI
Molecular Formula C22H30N4O3
Molecular Weight 398.4986
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Description

Enerisant is a histamine H3 receptor antagonist. In H3 receptor binding assay using (R)​-​α-​methyl[3H]​histamine, enerisant showed IC50 of 4.9 nM. Enerisant may be useful for the treatment of Alzheimer's disease, schizophrenia, etc.

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
 4.9 nM [IC50]
Patents

Patents

07888354
4
08183387
4
08193176
5
20100267687
3
20110065667
3
20110065668
3
7888354
3
8183387
3
8193176
3
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:49 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:49 GMT 2023
Record UNII
0W4IKH51WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENERISANT HYDROCHLORIDE DIHYDRATE
Common Name English
METHANONE, (1-(4-(3-((2R)-2-METHYL-1-PYRROLIDINYL)PROPOXY)PHENYL)-1H-PYRAZOL-4-YL)-4-MORPHOLINYL-, HYDROCHLORIDE, HYDRATE (1:1:2)
Systematic Name English
Code System Code Type Description
CAS
1152749-09-1
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY
FDA UNII
0W4IKH51WL
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY
PUBCHEM
66933454
Created by admin on Sat Dec 16 09:42:49 GMT 2023 , Edited by admin on Sat Dec 16 09:42:49 GMT 2023
PRIMARY
Related Record Type Details
Structure of ENERISANT HYDROCHLORIDE
ANHYDROUS->SOLVATE
Structure of ENERISANT
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of ENERISANT
ACTIVE MOIETY
NIH
NCATS
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