Trimebutine - ≥98% , CAS No.39133-31-8

Name: Trimebutine - ≥98% , CAS No.39133-31-8
Brand: Aladdin Scientific
SKU: T129468
Availability: InStock

CAS: 39133-31-8 Cat. No.: T129468 Summenformel: C₂₂H₂₉NO₅ Molekulargewicht: 387.47 EG-Nummer: 254-309-2 PubChem CID: 5573

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QUALITÄT & REINHEIT ≥98%

Synonyms

(+)-TRIMEBUTINE | KS-5233 | AB00513736_18 | 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate | (-)-TRIMEBUTINE | CHEBI:94458 | cid_5388977 | HMS3651M10 | 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat | HMS3715B08 | W-111163 | HY-B0380 | 2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Warum diese Qualität

≥98% für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Store at 2-8°C Versand Wet ice. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

Trimebutine is an agonist of peripheral mu, kappa and delta opiate receptors, used as spasmolytic agent for treatment of both acute and chronic abdominal pain.
An opioid receptor agonist.

Spezifikationen

Synonyme

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Trimebutine base is an opioid receptor agonist. Trimebutine base is an activator of KOR, DOR and MOR.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504750914

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750914

Kanonisches Lächeln

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C

IUPAC Name

[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate

InChIKey

LORDFXWUHHSAQU-UHFFFAOYSA-N

INCHI

1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

Isomere SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C

PubChem CID

5573

Molekulargewicht

387.47

Reaxy-Rn

2952136

Dokumentation

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Ebene5 Hydroxybenzoic acid derivatives
        Ebene6 Gallic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives
Direct Parent	Gallic acid and derivatives
Alternative Parents	M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Phenylpropanes Methoxybenzenes Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Phenylpropane - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)

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MC3R Tchem Melanocortin receptor 3 (5659 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Pde4d Phosphodiesterase 4D (4 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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N2a (708 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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2 results found

Lot Number	Certificate Type	Datum	Artikel
F1508108	Certificate of Analysis	Jul 07, 2026	T129468
K1904139	Certificate of Analysis	Jun 08, 2023	T129468

Chemische und physikalische Eigenschaften

Löslichkeit	Soluble in water (<1 mg/ml at 25 °C), ethanol (<1 mg/ml at 25 °C), DMSO (50 mg/ml at 25 °C), and methylene chloride.
Empfindlichkeit	Heat sensitive
Schmelzpunkt (°C)	82 °C
Molekulargewicht	387.500 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	387.205 Da
Monoisotopic Mass	387.205 Da
Topological Polar Surface Area	57.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	466.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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