Almokalant

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Names

[ CAS No. ]:
123955-10-2

[ 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

Precursor & DownStream

Precursor

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

DownStream


Related Compounds

  • 2H-Indazole-3-methanamine, 7-bromo-4-fluoro-
  • 2-amino-2-ethyl-5-(2-methyl-1H-imidazol-1-yl)pentanoic acid
  • 2-amino-2-ethyl-5-(5-methyl-1H-pyrazol-1-yl)pentanoic acid
  • 2-fluoro-N-(2-{5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}ethyl)pyridine-4-carboxamide
  • 3-Bromopyridine-2-carbothioamide
  • [3-(trifluoromethyl)-1H-pyrazol-4-yl]methanesulfonyl chloride
  • N-(4-{3-[3-(2-oxoazetidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl)benzamide
  • 4-(2-{3-[3-(2-oxoazetidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}ethenyl)-N-(propan-2-yl)benzene-1-sulfonamide
  • 2-amino-5-(4-chloro-1H-pyrazol-1-yl)-2-ethylpentanoic acid
  • Methyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
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