Introduction：Basic information about CAS 6249-56-5|(3-Carboxypropyl)trimethylammonium chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3-Carboxypropyl)trimethylammonium chloride |
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| CAS Number | 6249-56-5 | Molecular Weight | 181.660 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C7H16ClNO2 | Melting Point | 220ºC (dec.)(lit.) |
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| MSDS | / | Flash Point | / |
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Names
| Name | 3-carboxypropyl(trimethyl)azanium,chloride |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | (3-Carboxypropyl)trimethylammonium chloride is angiopathic substance produced as an intermediary metabolite by gut microbiota that feed on carnitine in dietary red meat. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseResearch Areas >>Metabolic Disease |
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| In Vivo | (3-Carboxypropyl)trimethylammonium chloride is produced as an intermediary metabolite by gut microbes of L-Carnitine to TMAO[1]. (3-Carboxypropyl)trimethylammonium chloride is implicated in arteriosclerosis and long-term cardiovascular death[2]. |
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| References | [1]. Koeth RA, et al. γ-Butyrobetaine is a proatherogenic intermediate in gut microbial metabolism of L-carnitine to TMAO. Cell Metab. 2014 Nov 4;20(5):799-812. [2]. Susumu Ogawa, et al. The Dynamics of Carnitine, γ-butyrobetaine and Trimethylamine N-oxide in Diabetics and the Effects of Changes in Renal Function. Ogawa et al., J Nephrol Ren Dis 2017, 1:2 |
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Chemical & Physical Properties
| Melting Point | 220ºC (dec.)(lit.) |
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| Molecular Formula | C7H16ClNO2 |
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| Molecular Weight | 181.660 |
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| Exact Mass | 181.086960 |
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| PSA | 37.30000 |
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| InChIKey | GNRKTORAJTTYIW-UHFFFAOYSA-N |
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| SMILES | C[N+](C)(C)CCCC(=O)O.[Cl-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BP3850000
- CHEMICAL NAME :
- Ammonium, (3-carboxypropyl)trimethyl-, chloride
- CAS REGISTRY NUMBER :
- 6249-56-5
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H15-N-O2.Cl
- MOLECULAR WEIGHT :
- 180.68
- WISWESSER LINE NOTATION :
- QV3K1&1&1 &Q &G
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3500 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - fluid intake Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 3,28,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 475 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 145,233,1963
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| HS Code | 2923900090 |
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Customs
| HS Code | 2923900090 |
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| Summary | 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| g-Butyrobetaine Hydrochloride |
| 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride |
| Trimethylaminobutyrate |
| 3-carboxy-N,N,N-trimethylpropan-1-ammonium chloride |
| 3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride |
| (3-Carboxypropyl)trimethylammonium chloride |
| Butyrobetaine chloride |
| γ-Butyrobetaine hydrochloride |
| MFCD00011905 |
| 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1) |
| Deoxycarnitine hydrochloride |
| 3-carboxy-N,N,N-trimethylpropanaminium chloride |
