Almokalant

Modify Date: 2024-01-14 14:57:29

Almokalant Structure
Almokalant structure
Common Name Almokalant
CAS Number 123955-10-2 Molecular Weight 352.49200
Density 1.17g/cm3 Boiling Point 574.8ºC at 760mmHg
Molecular Formula C18H28N2O3S Melting Point N/A
MSDS N/A Flash Point 301.4ºC

 Use of Almokalant


Almokalant is a class III antiarrhythmic drug, acts as a potassium channel blocker, and inhibits a specific component (Ikr) of the time-dependent delayed rectifier K+ current.

 Names

Name 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile
Synonym More Synonyms

 Almokalant Biological Activity

Description Almokalant is a class III antiarrhythmic drug, acts as a potassium channel blocker, and inhibits a specific component (Ikr) of the time-dependent delayed rectifier K+ current.
Related Catalog
Target

Potassium channel[1]

In Vitro Almokalant is a class III antiarrhythmic drug, acts as a potassium channel blocker, and inhibits a specific component (Ikr) of the time-dependent delayed rectifier K+ current[1].
In Vivo Almokalant (125 μmol/kg, p.o.) induces cardiovascular defects, orofacial clefts, and tail defects in pregnant rats, after administration on Day 11. Almokalant also causes in pregnant rats[1].
References

[1]. Wellfelt K, et al. Teratogenicity of the class III antiarrhythmic drug almokalant. Role of hypoxia and reactive oxygen species. Reprod Toxicol. 1999 Mar-Apr;13(2):93-101.

 Chemical & Physical Properties

Density 1.17g/cm3
Boiling Point 574.8ºC at 760mmHg
Molecular Formula C18H28N2O3S
Molecular Weight 352.49200
Flash Point 301.4ºC
Exact Mass 352.18200
PSA 92.77000
LogP 3.03438
Vapour Pressure 4.73E-14mmHg at 25°C
Index of Refraction 1.567

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI2457916
CHEMICAL NAME :
Benzonitrile, 4-(3-(ethyl(3-(propylsulfinyl)propyl)amino)-2-hydroxy propoxy)-
CAS REGISTRY NUMBER :
123955-10-2
LAST UPDATED :
199806
DATA ITEMS CITED :
4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
35250 ug/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 53,168,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
70500 ug/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 53,168,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
35250 ug/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 53,168,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
17625 ug/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 53,168,1996

 Synthetic Route

~%

Almokalant Structure

Almokalant

CAS#:123955-10-2

Literature: Aktiebolaget Hassle Patent: US5068272 A1, 1991 ;

~%

Almokalant Structure

Almokalant

CAS#:123955-10-2

Literature: Aktiebolaget Hassle Patent: US5055490 A1, 1991 ;

 Synonyms

4-(3-(Ethyl(3-(propylsulfinyl)propyl)amino)-2-hydroxypropoxy)benzonitrile
Benzonitrile,4-(3-(ethyl(3-(propylsulfinyl)propyl)amino)-2-hydroxypropoxy)
Almokalantum [INN-Latin]
Almoklant
Almokalant [INN]
(+-)-p-(3-(Ethyl(3-(propylsulfinyl)propyl)amino)-2-hydroxypropoxy)benzonitrile
4-[3-[ethyl[3-((R*)-propylsulfinyl)propyl]amino]-2(R)-hydroxypropoxy]-benzonitrile
Almokalantum
Almokalant