U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C36H62N4O2
Molecular Weight 582.9031
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOCTRAMINE FREE BASE

SMILES

COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=C(OC)C=CC=C2

InChI

InChIKey=RPMBYDYUVKEZJA-UHFFFAOYSA-N
InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C36H62N4O2
Molecular Weight 582.9031
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Antagonist binding properties of five cloned muscarinic receptors expressed in CHO-K1 cells.
1989 Apr
Stimulation of cyclic AMP accumulation and phosphoinositide hydrolysis by M3 muscarinic receptors in the rat peripheral lung.
1996 Aug 23
Functional role of M2 and M3 muscarinic receptors in the urinary bladder of rats in vitro and in vivo.
1997 Apr
Characterisation of [3H]-darifenacin as a novel radioligand for the study of muscarinic M3 receptors.
1997 Jan-May
Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line.
1998 Feb
Muscarinic acetylcholine receptor-dependent induction of persistent synaptic enhancement in rat hippocampus in vivo.
2007 Jan 19
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:13:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:54 GMT 2023
Record UNII
NVJ76B897D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHOCTRAMINE FREE BASE
Common Name English
J257.584A
Code English
N,N'-BIS(6-(((2-METHOXYPHENYL)METHYL)AMINO)HEXYL)-1,8-OCTANEDIAMINE
Systematic Name English
1,8-OCTANEDIAMINE, N1,N8-BIS(6-(((2-METHOXYPHENYL)METHYL)AMINO)HEXYL)-
Systematic Name English
N1,N8-BIS(6-(2-METHOXYBENZYLAMINO)HEXYL)OCTANE-1,8-DIAMINE
Systematic Name English
N,N'-BIS(6-((2-METHOXYPHENYL)METHYLAMINO)HEXYL)OCTANE-1,8-DIAMINE
Systematic Name English
Code System Code Type Description
FDA UNII
NVJ76B897D
Created by admin on Sat Dec 16 11:13:54 GMT 2023 , Edited by admin on Sat Dec 16 11:13:54 GMT 2023
PRIMARY
PUBCHEM
4108
Created by admin on Sat Dec 16 11:13:54 GMT 2023 , Edited by admin on Sat Dec 16 11:13:54 GMT 2023
PRIMARY
CAS
104807-40-1
Created by admin on Sat Dec 16 11:13:54 GMT 2023 , Edited by admin on Sat Dec 16 11:13:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID90657547
Created by admin on Sat Dec 16 11:13:54 GMT 2023 , Edited by admin on Sat Dec 16 11:13:54 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Membranes from transfected CHO cells
BINDING
IC50
TARGET -> INHIBITOR
Membranes from transfected CHO cells
BINDING
IC50
TARGET -> INHIBITOR
BINDING
IC50
TARGET->WEAK INHIBITOR
Membranes from transfected CHO cells
BINDING
IC50
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
Membranes from transfected CHO cells
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY