Opromazine - ≥95% , CAS No.969-99-3

CAS: 969-99-3 Cat. No.: O1069350 분자식: C₁₇H₁₉ClN₂OS 분자량: 334.86 EC 번호: 642-086-8 PubChem CID: 70413

등급 & 순도 ≥95%

Storage

Room temperature

사양

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

정식 스마일

CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl

IUPAC Name

3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

InChIKey

QEPPAOXKZOTMPM-UHFFFAOYSA-N

INCHI

1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

이성체 SMILES

CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl

PubChem CID

70413

분자량

334.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Benzenoids Aryl chlorides 1,4-thiazines Trialkylamines Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Para-thiazine - Aryl chloride - Aryl halide - Benzenoid - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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

화학 및 물리적 특성

• 분자량: 334.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 334.091 Da
• Monoisotopic Mass: 334.091 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 406.000
• 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

자주 묻는 질문

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