Hexetidine, mixture of stereoisomers - 10mM in DMSO , CAS No.141-94-6

CAS: 141-94-6 Cat. No.: H421550 Peso molecular: 339.6 Beilstein Registry Number: 161071 Número EC: 205-513-5

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS000277944 | BSPBio_000621 | Hexetidina [INN-Spanish] | HEXETIDINE [INN] | SR-01000872662 | DivK1c_000280 | hexetidine | Hexigel | AB00052133 | AS-56257 | Duranil Aerosol | HMS1921M09 | KBioSS_000716 | Prestwick_800 | 852A84Y8LS | Hexopyrimidine | Tris

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Hexetidine, mixture of stereoisomers is an antibacterial and antifungal agent.

Specifications

Sinónimos

AKOS000277944 | BSPBio_000621 | Hexetidina [INN-Spanish] | HEXETIDINE [INN] | SR-01000872662 | DivK1c_000280 | hexetidine | Hexigel | AB00052133 | AS-56257 | Duranil Aerosol | HMS1921M09 | KBioSS_000716 | Prestwick_800 | 852A84Y8LS | Hexopyrimidine | Tris

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N
• IUPAC Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
• InChIKey: DTOUUUZOYKYHEP-UHFFFAOYSA-N
• INCHI: 1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
• Isómeros SMILES: CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N
• WGK Alemania: 3
• Peso molecular: 339.6
• Beilstein: 161071
• Reaxy-Rn: 161071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=161071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazinanes
• Alternative Parents: Azacyclic compounds Aminals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-diazinane - Azacycle - Aminal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.
• External Descriptors: Not available

Data sources

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

Objetivos asociados (humanos)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 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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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 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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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 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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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 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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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Objetivos asociados (no humanos)

Cavia porcellus (23802 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.4645
• Punto de inflamación (°F): 158 °F
• Punto de inflamación (°C): 70 °C
• Punto de ebullición (°C): 160° C (lit.) at 0.4 mmHg
• Peso molecular: 339.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 339.361 Da
• Monoisotopic Mass: 339.361 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1