OCTAMYLAMINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H29N
Molecular Weight	199.3761
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CCCC(C)NCCC(C)C

InChI

InChIKey=RRWTWWBIHKIYTH-UHFFFAOYSA-N

InChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C13H29N
Molecular Weight	199.3761
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: http://www.drugfuture.com/chemdata/octamylamine.html | https://www.ncbi.nlm.nih.gov/pubmed/14947502

Octamylamine is an Antispasmodic. Trademark: Octinum D.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Muscle spasm 41 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14947502 https://www.ndrugs.com/?s=octamylamine	Primary		Approved 8583	Octinum-D Approved Use Antispasmodic; for digestive, urinary tract and sphincter cramps, migraine headaches, urinary tract and hiccup, gastrointestinal tract equipment examination. For canker, cholecystitis, cholelithiasis diseases caused by abdominal pain, and the effect of atropine similar, but no other adverse reactions, dry mouth.

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP2C19 2057

Drug as perpetrator

Target	Modality	Activity
CYP1A2 2333	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 59.0	no
CYP2C19 2141	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 60.0	no
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 52.0	no
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 58.0	no
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 1.0	yes [IC50 0.5495 uM]

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/10406#section=Biological-Test-Results Page: 58.0

PubMed

Title	Date	PubMed
[Octin, hydro-octin, octin D; a contribution to the analysis of their mechanism of action].	1955	13309401
[Pylorus hypertrophy in adults, x-rayed while under effect of octin D].	1953	13091208
[Octinum D in the development of synthetic spasmolytics].	1952-04	14947502

Patents

Sample Use Guides

In Vivo Use Guide

Oral: Each compound drops 25 to 40 drops

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:11:23 GMT 2025` Edited by `admin` on `Mon Mar 31 18:11:23 GMT 2025`
Record UNII	S0737084O9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTAMYLAMINE

Official Name

English

OCTAMYLAMINE [MART.]

Preferred Name

English

Octamylamine [WHO-DD]

Common Name

English

OCTAMYLAMINE [MI]

Common Name

English

N-ISOPENTYL-1,5-DIMETHYLHEXYLAMINE

Systematic Name

English

octamylamine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29698