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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17Cl2NO2
Molecular Weight 314.207
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEMESETRON

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C3=CC(Cl)=CC(Cl)=C3

InChI

InChIKey=MNJNPLVXBISNSX-WDNDVIMCSA-N
InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+

HIDE SMILES / InChI
Molecular Formula C15H17Cl2NO2
Molecular Weight 314.207
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:51:08 UTC 2023
Edited
by admin
on Sat Dec 16 17:51:08 UTC 2023
Record UNII
O98T3677PA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEMESETRON
INN   USAN  
INN   USAN  
Official Name English
MDL-72,222
Code English
MDL 72,222
Code English
1αH,5αH-Tropan-3α-yl 3,5-dichlorobenzoate
Common Name English
BEMESETRON [USAN]
Common Name English
8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL 3,5-DICHLOROBENZOATE
Systematic Name English
bemesetron [INN]
Common Name English
3-Tropanyl-3,5-dichlorobenzoate
Common Name English
MDL-72222
Code English
BENZOIC ACID, 3,5-DICHLORO-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C94726
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
Code System Code Type Description
MESH
C042253
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
WIKIPEDIA
Bemesetron
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID8042632
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
CAS
40796-97-2
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
USAN
BB-8
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107804
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
SMS_ID
100000086139
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
EVMPD
SUB05692MIG
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
INN
6682
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
NCI_THESAURUS
C80766
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
FDA UNII
O98T3677PA
Created by admin on Sat Dec 16 17:51:08 UTC 2023 , Edited by admin on Sat Dec 16 17:51:08 UTC 2023
PRIMARY
Related Record Type Details
5-HYDROXYTRYPTAMINE RECEPTOR 3A
TARGET -> INHIBITOR
BINDING
IC50
Related Record Type Details
Structure of BEMESETRON
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