Almokalant

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Names

[ Name ]:
Almokalant

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-[3-[ethyl(3-propylsulfanylpropyl)amino]-2-hydroxypropoxy]benzonitrile
Propylamine
(R)-4-(oxiran-2-ylmethoxy)benzonitrile

DownStream

Related Compounds

1-((4-Bromo-2-methylphenoxy)methyl)-2,3-difluorobenzene
N-benzyl-2,3-dibromopropionamide
4-Methyl-2-(2-oxo-4-(o-tolyloxy)pyridin-1(2H)-yl)pentanoic acid
6-(3-Bromophenyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene
Ethanone, 1-[2-(2,5-dimethylphenyl)-4-thiazolyl]-
3-Methyl-5-nitro-2-(piperidin-4-yloxy)-pyridine
Tert-butyl 4-(6-(3,4-diisopropylphenyl)pyridin-2-yl)piperazine-1-carboxylate
4-(2-Bromophenyl)-2,6-diphenylpyrimidine
1-(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-yl)piperidin-4-amine
1-(2-(Tetrahydro-2H-pyran-4-yl)thiazol-4-yl)ethanone

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