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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38N2O.2ClH.2H2O
Molecular Weight 563.5997
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EZLOPITANT DIHYDRATE DIHYDROCHLORIDE

SMILES

CC(C)c1ccc(c(c1)CN[C@@]2([H])C3CCN(CC3)[C@@]2([H])C(c4ccccc4)c5ccccc5)OC.Cl.Cl.O.O

InChI

InChIKey=NARZXKOQZLRUSC-QCYLTUBGSA-N
InChI=1S/C31H38N2O.2ClH.2H2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24;;;;/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3;2*1H;2*1H2/t30-,31-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula C31H38N2O
Molecular Weight 454.6474
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
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 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Ezlopitant (CJ-11974) is a non-peptide neurokinin-1 receptor antagonist. Pfizer was developing ezlopitant for the potential treatment of irritable bowel syndrome and chemotherapy-induced emesis. Development of ezlopitant has been discontinued.

CNS Activity

Curator's Comment:: Ezlopitant is CNS active in animals. No human data available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Randomized phase II study of the neurokinin 1 receptor antagonist CJ-11,974 in the control of cisplatin-induced emesis.
1999 Jan
Eziopitant. Pfizer.
2001 Oct
Anti-emetic activity of the novel nonpeptide tachykinin NK1 receptor antagonist ezlopitant (CJ-11,974) against acute and delayed cisplatin-induced emesis in the ferret.
2002 Nov
Patents

Patents

Sample Use Guides

Randomized phase II study of ezlopitant (CJ-11974) in the control of cisplatin-induced emesis. Patients were randomly assigned to two groups: group 1 received CJ-11,974 100 mg, and group 2 received placebo orally 30 minutes before and 12 hours after cisplatin and then twice daily on days 2 through 5 after cisplatin.
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:40:18 UTC 2021
Edited
by admin
on Sat Jun 26 07:40:18 UTC 2021
Record UNII
F3BVI9E6A9
Record Status Validated (UNII)
Record Version
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Name Type Language
EZLOPITANT DIHYDRATE DIHYDROCHLORIDE
Common Name English
1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXY-5-(1-METHYLETHYL)PHENYL)METHYL)-, HYDROCHLORIDE, HYDRATE (1:2:2), (2S,3S)-
Common Name English
1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXY-5-(1-METHYLETHYL)PHENYL)METHYL)-, DIHYDROCHLORIDE, DIHYDRATE, (2S,3S)-
Common Name English
Code System Code Type Description
FDA UNII
F3BVI9E6A9
Created by admin on Sat Jun 26 07:40:18 UTC 2021 , Edited by admin on Sat Jun 26 07:40:18 UTC 2021
PRIMARY
PUBCHEM
71587691
Created by admin on Sat Jun 26 07:40:18 UTC 2021 , Edited by admin on Sat Jun 26 07:40:18 UTC 2021
PRIMARY
EPA CompTox
312968-98-2
Created by admin on Sat Jun 26 07:40:18 UTC 2021 , Edited by admin on Sat Jun 26 07:40:18 UTC 2021
PRIMARY
CAS
312968-98-2
Created by admin on Sat Jun 26 07:40:18 UTC 2021 , Edited by admin on Sat Jun 26 07:40:18 UTC 2021
PRIMARY
Related Record Type Details
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