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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O.ClH
Molecular Weight 330.852
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDRO PALONOSETRON HYDROCHLORIDE

SMILES

Cl.O=C1N(C=C2CCCC3=C2C1=CC=C3)[C@@H]4CN5CCC4CC5

InChI

InChIKey=PEMWWRCTBNOHCX-UNTBIKODSA-N
InChI=1S/C19H22N2O.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;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/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 C19H22N2O
Molecular Weight 294.3908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:14 UTC 2023
Edited
by admin
on Fri Dec 15 15:32:14 UTC 2023
Record UNII
866E0T17RQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDRO PALONOSETRON HYDROCHLORIDE
Common Name English
2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE HYDROCHLORIDE
Systematic Name English
PALONOSETRON-3-ENE HYDROCHLORIDE
Common Name English
(2-((3S)-QUINUCLIDIN-3-YL)-2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE HYDROCHLORIDE)
Common Name English
RS-42358-197
Code English
1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,4,5,6-TETRAHYDRO-, HYDROCHLORIDE (1:1)
Systematic Name English
PALONOSETRON RELATED COMPOUND E [USP-RS]
Common Name English
PALONOSETRON RELATED COMPOUND E
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20159504
Created by admin on Fri Dec 15 15:32:14 UTC 2023 , Edited by admin on Fri Dec 15 15:32:14 UTC 2023
PRIMARY
PUBCHEM
148209
Created by admin on Fri Dec 15 15:32:14 UTC 2023 , Edited by admin on Fri Dec 15 15:32:14 UTC 2023
PRIMARY
RS_ITEM_NUM
1492266
Created by admin on Fri Dec 15 15:32:14 UTC 2023 , Edited by admin on Fri Dec 15 15:32:14 UTC 2023
PRIMARY
FDA UNII
866E0T17RQ
Created by admin on Fri Dec 15 15:32:14 UTC 2023 , Edited by admin on Fri Dec 15 15:32:14 UTC 2023
PRIMARY
CAS
135729-55-4
Created by admin on Fri Dec 15 15:32:14 UTC 2023 , Edited by admin on Fri Dec 15 15:32:14 UTC 2023
PRIMARY
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