Procyclidine Hydrochloride - ≥98% , CAS No.1508-76-5

CAS: 1508-76-5 Cat. No.: P132645 분자식: C₁₉H₂₉NO · HCl 분자량: 323.9 EC 번호: 216-141-8

GRADE & PURITY ≥98%

Synonyms

(+-)-Procyclidine hydrochloride | Procyclidine hydrochloride, United States Pharmacopeia (USP) Reference Standard | PROCYCLIDINE HYDROCHLORIDE [ORANGE BOOK] | Q27108083 | (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

(+-)-Procyclidine hydrochloride | Procyclidine hydrochloride, United States Pharmacopeia (USP) Reference Standard | PROCYCLIDINE HYDROCHLORIDE [ORANGE BOOK] | Q27108083 | (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Procyclidine is a synthetic anti-cholinergic agent and atropine-like antispasmodic. It exhibits therapeutic effects against Parkinson′s disease and schizophrenia. Procyclidine acts as a muscarinic receptor antagonist. It also affects N-methyl-D-aspartate

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504757835

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757835

정식 스마일

C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O.Cl

IUPAC Name

1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride

InChIKey

ZFSPFXJSEHCTTR-UHFFFAOYSA-N

INCHI

1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H

이성체 SMILES

C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O.Cl

WGK 독일

3

RTECS

UY1926000

대체 CAS

77-37-2

분자량

323.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: N-alkylpyrrolidines Benzene and substituted derivatives Tertiary alcohols 1,3-aminoalcohols Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - 1,3-aminoalcohol - Pyrrolidine - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Alcohol - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: hydrochloride

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

관련 대상(인간)

HEK293 (82097 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 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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관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 분자량: 323.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 323.202 Da
• Monoisotopic Mass: 323.202 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 301.000
• 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: 2

XLogP3