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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N.CH4O3S
Molecular Weight 345.456
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOCTAMINE MESILATE

SMILES

CS(O)(=O)=O.CNCC12CCC(C3=C1C=CC=C3)C4=C2C=CC=C4

InChI

InChIKey=ULOQELONFAGTLP-UHFFFAOYSA-N
InChI=1S/C18H19N.CH4O3S/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18;1-5(2,3)4/h2-9,13,19H,10-12H2,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H19N
Molecular Weight 249.3502
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Benzoctamine (Tacitin), a psychotropic drug, known to exert in man an anti-anxiety effect. Its action also was studied when given as a hypnotic or sedative in patients with respiratory failure. Benzoctamine decreases 5-HT turnover in the brain and this action may play a role in the anti-anxiety effect of the drug.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P31645
Gene ID: 6532.0
Gene Symbol: SLC6A4
Target Organism: Homo sapiens (Human)
7.0 null [pIC50]
PubMed

PubMed

TitleDatePubMed
Benzoctamine. A preliminary report on a new sedative drug.
1974 Nov
Synthesis of 2-(9,10-dihydro-9,10-propanoanthracen-9-yl)-N-methylethanaminevia a [4+2] cycloaddition.
2010 Jun 9

Sample Use Guides

10 mg of benzoctamine and 20 mg
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:08:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:16 GMT 2023
Record UNII
IYQ3K620CD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOCTAMINE MESILATE
Common Name English
9,10-ETHANOANTHRACENE-9(10H)-METHANAMINE, N-METHYL-, METHANESULFONATE
Systematic Name English
9,10-ETHANOANTHRACENE-9(10H)-METHANAMINE, N-METHYL-, METHANESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90995916
Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023
PRIMARY
PUBCHEM
74083969
Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023
PRIMARY
CAS
74401-28-8
Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023
PRIMARY
FDA UNII
IYQ3K620CD
Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023
PRIMARY
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ACTIVE MOIETY