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Thenyldiamine

Thenyldiamine structure

CAS No:
91-79-2
Formula:
C14H19N3S
Chemical Name:
Thenyldiamine
Synonyms:
1,2-Ethanediamine,N1,N1-dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-;Pyridine,2-[[2-(dimethylamino)ethyl]-3-thenylamino]-;1,2-Ethanediamine,N,N-dimethyl-N′-2-pyridinyl-N′-(3-thienylmethyl)-;N1,N1-Dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-1,2-ethanediamine;WIN 2848;N-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine;2-[(2-Dimethylaminoethyl)-3-thenylamino]pyridine;N-(α-Pyridyl)-N-(β-thenyl)-N′,N′-dimethylethylenediamine;Tenfidil;Thefanil;Thenfadil;Thenyldiamine;Thenyldiamine (pharmaceutical);N,N-Dimethyl-N′-(2-pyridyl)-N′-(3-thenyl)ethylenediamine;Dethylandiamine;1,2-Ethanediamine N1,N1-dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-
Categories:
Active Pharmaceutical Ingredients > Antiallergic Drugs

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Description

Liquid.

Thenyldiamine Basic Attributes

Molecular Weight：

261.38576

Exact Mass：

261.39

EC Number：

202-098-2

UNII：

E4U52363JE

DSSTox ID：

DTXSID0021335

Color/Form：

LIQUID

Characteristics

PSA：

47.6

XLogP3：

2.71130

Density：

1.1388 (rough estimate)

Boiling Point：

169-172 °C @ Press: 1.0 Torr

Refractive Index：

nD20 1.5915

Water Solubility：

4.444g/L(37.5 ºC)

Experimental Properties：

BITTER TASTE; PH OF 1% AQ SOLN 6.5; MELTING POINT: 169.5-170 °C; CRYSTALS FROM METHANOL; SOL IN WATER UP TO 20%; SLIGHTLY SOL IN ALC /HYDROCHLORIDE/

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Therapeutic Uses：

Nasal Decongestants; Histamine H1 Antagonists|THESE INCLUDE SOME OF THE MOST SPECIFIC AND ACTIVE H1 ANTAGONISTS. ALTHOUGH THEIR CENTRAL EFFECTS ARE RELATIVELY FEEBLE AND OF NO THERAPEUTIC VALUE, SOMNOLENCE OCCURS. /ETHYLENEDIAMINES/|ANTIHISTAMINIC AGENT (AS HYDROCHLORIDE)|ANTIHISTAMINIC AGENT; PRC: FORMERLY USED AS A SEDATIVE /HYDROCHLORIDE/

Human Toxicity Excerpts：

GASTROINTESTINAL SIDE EFFECTS ARE QUITE COMMON. /ETHYLENEDIAMINES/

MeSH Entry Terms：

2-((2-dimethylaminoethyl)-3-thenylamino)pyridine

Thenyldiamine Use and Manufacturing

Methods of Manufacturing

CONDENSATION OF N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-THENYL BROMIDE|PREPARED BY CONDENSING N,N-DIMETHYLAMINOETHYL-ALPHA-AMINOPYRIDINE WITH 3-PHENYL BROMIDE...

Uses

Medicine (as base for various salts, especially the hydrochloride).

Production

(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

Consumption Patterns：

ESSENTIALLY 100% AS AN ANTIHISTAMINIC AGENT (AS HYDROCHLORIDE)

Formulations：

THENYLDIAMINE CHLORIDE, THENYLDIAMINE HYDROCHLORIDE

Analytic Methods：

USE OF SE-30 AS A STATIONARY PHASE FOR THE GLC OF DRUGS.|IDENTIFICATION OF SUBSTANCES USING THIN LAYER CHROMATOGRAPHIC RETENTION DATA.|APPLICATION OF HPLC TO THE SEPARATION OF ANTIHISTAMINE DRUGS.

Laboratory Methods：

A GAS CHROMATOGRAPHIC METHOD, USING A NITROGEN PHOSPHORUS DETECTOR, FOR THE DETECTION OF BASIC DRUGS IN POSTMORTEM BLOOD.

Computed Properties

Molecular Weight:261.39
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:261.12996879
Monoisotopic Mass:261.12996879
Topological Polar Surface Area:47.6
Heavy Atom Count:18
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes