Chlorotetracycline - 10mM in DMSO , CAS No.57-62-5

CAS: 57-62-5 Cat. No.: C424848 분자식: C₂₂H₂₃ClN₂O₈ 분자량: 478.88 EC 번호: 200-341-7

GRADE & PURITY 10mM in DMSO

Synonyms

Spectrum3_000348 | Spectrum5_000461 | Uromycin | Acronize | chlortetracycline | KBio1_000253 | Aureomycin (TN) | Caswell No. 219B | Clortetraciclina [INN-Spanish] | DB09093 | KBio2_001795 | Q417948 | SCHEMBL62861 | Spectrum2_000802 | Chlormax | LMPK070000

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Chlortetracycline is a tetracycline antibiotic and commonly used to treat conjunctivitis in cats.

Specifications

동의어

Spectrum3_000348 | Spectrum5_000461 | Uromycin | Acronize | chlortetracycline | KBio1_000253 | Aureomycin (TN) | Caswell No. 219B | Clortetraciclina [INN-Spanish] | DB09093 | KBio2_001795 | Q417948 | SCHEMBL62861 | Spectrum2_000802 | Chlormax | LMPK070000

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O
• IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
• InChIKey: DHPRQBPJLMKORJ-XRNKAMNCSA-N
• INCHI: 1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
• 이성체 SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O
• 분자량: 478.88
• Reaxy-Rn: 24937308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24937308&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Tetracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Cyclohexenones Aryl chlorides Vinylogous acids Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Enols Polyols Carboximidic acids Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - 1-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Cyclic ketone - Tertiary amine - Tertiary aliphatic amine - Ketone - Polyol - Carboximidic acid - Carboximidic acid derivative - Enol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
• 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

• DMSO(mg/mL) 최대 용해도: 6
• DMSO(mM) 최대 용해도: 12.52923488
• 분자량: 478.900 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 478.114 Da
• Monoisotopic Mass: 478.114 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 1