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Details

Stereochemistry ACHIRAL
Molecular Formula C19H25ClN2O2.C4H4O4
Molecular Weight 464.939
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZATOSETRON MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C3=CC(Cl)=CC4=C3OC(C)(C)C4

InChI

InChIKey=HAFQATMFFHYNPN-QRPZPOMXSA-N
InChI=1S/C19H25ClN2O2.C4H4O4/c1-19(2)10-11-6-12(20)7-16(17(11)24-19)18(23)21-13-8-14-4-5-15(9-13)22(14)3;5-3(6)1-2-4(7)8/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,15-;

HIDE SMILES / InChI

Molecular Formula C19H25ClN2O2
Molecular Weight 348.867
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

Zatosetron is a potent, selective, orally effective 5HT3 receptor antagonist. It has been studied in the treatment of emesis, migraine and anxiety.

CNS Activity

Originator

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 06:09:14 UTC 2019
Edited
by admin
on Tue Oct 22 06:09:14 UTC 2019
Record UNII
7I5347HD9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZATOSETRON MALEATE
USAN  
USAN  
Official Name English
ZATOSETRON MALEATE [USAN]
Common Name English
7-BENZOFURANCARBOXAMIDE, 5-CHLORO-2,3-DIHYDRO-2,2-DIMETHYL-N-(8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-, ENDO-, (Z)-2-BUTENEDIOATE (1:1)
Common Name English
7-BENZOFURANCARBOXAMIDE, 5-CHLORO-2,3-DIHYDRO-2,2-DIMETHYL-N-((3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-, (2Z)-2-BUTENEDIOATE (1:1)
Common Name English
LY-277359 MALEATE
Code English
LY277359 MALEATE
Code English
Classification Tree Code System Code
NCI_THESAURUS C94726
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
Code System Code Type Description
MESH
C064877
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
PRIMARY
NCI_THESAURUS
C95281
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
PRIMARY
EPA CompTox
123482-23-5
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
PRIMARY
CAS
123482-23-5
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
PRIMARY
ChEMBL
CHEMBL2111147
Created by admin on Tue Oct 22 06:09:14 UTC 2019 , Edited by admin on Tue Oct 22 06:09:14 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY