Ritodrine Hydrochloride - ≥98% , CAS No.23239-51-2

CAS: 23239-51-2 Cat. No.: R124692 Peso molecular: 323.81 Número EC: 245-514-8 PubChem CID: 31728

GRADE & PURITY ≥98%

Synonyms

HMS1569E19 | J-015046 | MLS002153782 | CHEBI:32102 | NCGC00016773-01 | AS-12194 | MFCD01657514 | RITODRINE HCL | Ritodrine hydrochloride- Bio-X | Yutopar (TN) | 4-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)phenol hydrochloride | NSC 2

Storage

Room temperature

Shipped In

Normal

Descripción general

Ritodrine HCl is a hydrochloride salt of ritodrine which is a β-2 adrenergic receptor agonist.

Specifications

Sinónimos

HMS1569E19 | J-015046 | MLS002153782 | CHEBI:32102 | NCGC00016773-01 | AS-12194 | MFCD01657514 | RITODRINE HCL | Ritodrine hydrochloride- Bio-X | Yutopar (TN) | 4-(2-((1R, 2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)phenol hydrochloride | NSC 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753478
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753478
• Sonrisas canónicas: CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl
• IUPAC Name: 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol;hydrochloride
• InChIKey: IDLSITKDRVDKRV-XHXSRVRCSA-N
• INCHI: 1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m0./s1
• Isómeros SMILES: C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl
• WGK Alemania: 3
• RTECS: DO6524000
• CAS alternativo: 26652-09-5
• PubChem CID: 31728
• Peso molecular: 323.81
• Reaxy-Rn: 5321399

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenylpropanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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)

GALR3 Tchem Galanin receptor 3 (273 Activities)

Discover Target: GALR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 65 mg/mL; Water 65 mg/mL,
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 195°C(dec.)(lit.)
• Peso molecular: 323.800 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 323.129 Da
• Monoisotopic Mass: 323.129 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Tingting Wang, Yuhuan Cheng, Yulian Zhang, Jinyin Zha, Jiannong Ye, Qingcui Chu, Guifang Cheng.  (2019)  β-cyclodextrin modified quantum dots as pseudo-stationary phase for direct enantioseparation based on capillary electrophoresis with laser-induced fluorescence detection.  TALANTA,      [PMID:31987180] [10.1016/j.talanta.2019.120629]

2. Yu Xin, Weidong Fei, Meng Zhang, Yue Chen, Yujie Peng, Dongli Sun, Xiaoling Zheng, Xiaojun Zhu, Yunchun Zhao, Caihong Zheng.  (2024)  Uterine first-pass effect: Unlocking the potential of vaginally administered ritodrine-loaded thermosensitive gel for uterine drug delivery.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:39489073] [10.1016/j.ejps.2024.106945]

3. Yu Xin, Yue Chen, Xiaojun Zhu, Ying Zhang, Maiqi Kong, Huidi Jiang, Xiao Li, Weidong Fei, Caihong Zheng.  (2025)  Decellularized amnion membrane-based thermosensitive vaginal hydrogel enhances ritodrine efficacy and reduces systemic side effects in preterm birth treatment.  Acta Biomaterialia,      [PMID:40516841] [10.1016/j.actbio.2025.06.024]