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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N2O.ClH
Molecular Weight 332.868
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PALONOSETRON HYDROCHLORIDE, (3R)-

SMILES

Cl.[H][C@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@H]4CN5CCC4CC5

InChI

InChIKey=OLDRWYVIKMSFFB-KALLACGZSA-N
InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/m1./s1

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 C19H24N2O
Molecular Weight 296.4067
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:58:44 UTC 2023
Edited
by admin
on Sat Dec 16 13:58:44 UTC 2023
Record UNII
1J5X5HPB4C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PALONOSETRON HYDROCHLORIDE, (3R)-
Common Name English
PALONOSETRON RELATED COMPOUND C
Common Name English
1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,3,3A,4,5,6-HEXAHYDRO-, HYDROCHLORIDE (1:1), (3AS)-
Systematic Name English
PALONOSETRON RELATED COMPOUND C [USP-RS]
Common Name English
(3AS)-2-((3R)-QUINUCLIDIN-3-YL)-2,3,3A,4,5,6-HEXAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE HYDROCHLORIDE
Systematic Name English
RS-25233-197
Code English
Code System Code Type Description
FDA UNII
1J5X5HPB4C
Created by admin on Sat Dec 16 13:58:45 UTC 2023 , Edited by admin on Sat Dec 16 13:58:45 UTC 2023
PRIMARY
CAS
135729-76-9
Created by admin on Sat Dec 16 13:58:45 UTC 2023 , Edited by admin on Sat Dec 16 13:58:45 UTC 2023
PRIMARY
PUBCHEM
18651161
Created by admin on Sat Dec 16 13:58:45 UTC 2023 , Edited by admin on Sat Dec 16 13:58:45 UTC 2023
PRIMARY
RS_ITEM_NUM
1492244
Created by admin on Sat Dec 16 13:58:45 UTC 2023 , Edited by admin on Sat Dec 16 13:58:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
PARENT -> IMPURITY