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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N2O3
Molecular Weight 324.3737
Optical Activity NONE
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOLASETRON

SMILES

[H][C@@]12C[C@H](C[C@H]3C[C@@H](C1)C(=O)CN23)OC(=O)C4=CNC5=C4C=CC=C5

InChI

InChIKey=UKTAZPQNNNJVKR-YXSUXZIUSA-N
InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12+,13-,14-

HIDE SMILES / InChI

Molecular Formula C19H20N2O3
Molecular Weight 324.3737
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:43:14 UTC 2023
Edited
by admin
on Fri Dec 15 15:43:14 UTC 2023
Record UNII
82WI2L7Q6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOLASETRON
HSDB   INN   MI   VANDF   WHO-DD  
INN  
Official Name English
dolasetron [INN]
Common Name English
INDOLE-3-CARBOXYLIC ACID, ESTER WITH (8R)-HEXAHYDRO-8-HYDROXY-2,6-METHANO-2H-QUINOLIZIN-3(4H)-ONE
Common Name English
Dolasetron [WHO-DD]
Common Name English
1H-INDOLE-3-CARBOXYLIC ACID, OCTAHYDRO-3-OXO-2,6-METHANO-2H-QUINOLIZIN-8-YL ESTER, (2.ALPHA.,6.ALPHA.,8.ALPHA.,9A.BETA.)-
Common Name English
DOLASETRON [MI]
Common Name English
DOLASETRON [VANDF]
Common Name English
DOLASETRON [HSDB]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175817
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
LIVERTOX 321
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
WHO-ATC A04AA04
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
NCI_THESAURUS C94726
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
NDF-RT N0000175818
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
WHO-VATC QA04AA04
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
NCI_THESAURUS C267
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
Code System Code Type Description
MERCK INDEX
m4728
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY Merck Index
SMS_ID
100000080776
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
CAS
139014-62-3
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
ChEMBL
CHEMBL2368925
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID4048276
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
HSDB
7565
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
DRUG BANK
DB00757
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
INN
6780
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
DAILYMED
82WI2L7Q6E
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
RXCUI
68091
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
3931
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
WIKIPEDIA
Dolasetron
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
CAS
115956-12-2
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
MESH
C060344
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
EVMPD
SUB06352MIG
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
NCI_THESAURUS
C61735
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
FDA UNII
82WI2L7Q6E
Created by admin on Fri Dec 15 15:43:14 UTC 2023 , Edited by admin on Fri Dec 15 15:43:14 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
METABOLITE -> PARENT
MINOR
URINE
METABOLITE -> PARENT
HYDRODOLASETRON IS AN ACIVE METABOLITE
MINOR
URINE
METABOLITE -> PARENT
MINOR
URINE
METABOLITE -> PARENT
MAJOR GLUCURONIDE
URINE
METABOLITE -> PARENT
HYDRODOLASETRON IS AN ACITVE METABOLITE
MAJOR
URINE
METABOLITE -> PARENT
MINOR
URINE
METABOLITE -> PARENT
MINOR
URINE
METABOLITE ACTIVE -> PARENT
METABOLITE -> PARENT
MINOR
URINE
METABOLITE -> PARENT
MINOR
URINE
Related Record Type Details
ACTIVE MOIETY