METHOCTRAMINE FREE BASE

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 Search

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:13:54 UTC 2023` Edited by `admin` on `Sat Dec 16 11:13:54 UTC 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 UTC 2023 , Edited by admin on Sat Dec 16 11:13:54 UTC 2023

PRIMARY

PUBCHEM

4108

Created by admin on Sat Dec 16 11:13:54 UTC 2023 , Edited by admin on Sat Dec 16 11:13:54 UTC 2023

PRIMARY

CAS

104807-40-1

Created by admin on Sat Dec 16 11:13:54 UTC 2023 , Edited by admin on Sat Dec 16 11:13:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID90657547

Created by admin on Sat Dec 16 11:13:54 UTC 2023 , Edited by admin on Sat Dec 16 11:13:54 UTC 2023

PRIMARY

Related Record Type Details


					8HOL4T03PN

MUSCARINIC ACETYLCHOLINE RECEPTOR M4

TARGET -> INHIBITOR

Comments:

Membranes from transfected CHO cells

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					U87RX375T5

MUSCARINIC ACETYLCHOLINE RECEPTOR M2

TARGET -> INHIBITOR

Comments:

Membranes from transfected CHO cells

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					V23K99CV7G

MUSCARINIC ACETYLCHOLINE RECEPTOR M1

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					W3JX5KZ4V2

MUSCARINIC ACETYLCHOLINE RECEPTOR M3

TARGET->WEAK INHIBITOR

Comments:

Membranes from transfected CHO cells

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					RLO2T99XT3

METHOCTRAMINE

SALT/SOLVATE -> PARENT

Amount:


					U87RX375T5

MUSCARINIC ACETYLCHOLINE RECEPTOR M2

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					QQ0IJ5P4GV

MUSCARINIC ACETYLCHOLINE RECEPTOR M5

TARGET -> INHIBITOR

Comments:

Membranes from transfected CHO cells

Interaction Type:

BINDING

Qualification:

IC50

Amount:

Related Record Type Details


					NVJ76B897D

METHOCTRAMINE FREE BASE

ACTIVE MOIETY

Amount: