Introduction：Basic information about CAS 123955-10-2|Almokalant, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Almokalant |
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| CAS Number | 123955-10-2 | Molecular Weight | 352.49200 |
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| Density | 1.17g/cm3 | Boiling Point | 574.8ºC at 760mmHg |
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| Molecular Formula | C18H28N2O3S | Melting Point | / |
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| MSDS | / | Flash Point | 301.4ºC |
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Names
| Name | 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile |
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| Synonym | More Synonyms |
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Almokalant BiologicalActivity
| 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. |
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| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>Potassium ChannelResearch Areas >>Cardiovascular Disease |
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| Target | Potassium channel[1] |
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| 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]. |
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| 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]. |
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| 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. |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 574.8ºC at 760mmHg |
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| Molecular Formula | C18H28N2O3S |
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| Molecular Weight | 352.49200 |
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| Flash Point | 301.4ºC |
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| Exact Mass | 352.18200 |
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| PSA | 92.77000 |
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| LogP | 3.03438 |
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| Vapour Pressure | 4.73E-14mmHg at 25°C |
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| Index of Refraction | 1.567 |
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| InChIKey | ZMHOBBKJBYLXFR-UHFFFAOYSA-N |
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| SMILES | CCCS(=O)CCCN(CC)CC(O)COc1ccc(C#N)cc1 |
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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 DATAACUTE 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
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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 |
