Anhydro Chlortetracycline Hydrochloride - Moligand™,≥97% , CAS No.65490-24-6

CAS: 65490-24-6 Cat. No.: A352730 Molecular Weight: 497.33 PubChem CID: 54710411

GRADE & PURITY Moligand™, ≥97%

Synonyms

Anhydrochlortetracycline Hydrochloride | (4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride | Anhydro Chlortetracycline Hydrochloride | ANHYDROCHLORTETRACYCLINE HYDRO

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product description

Anhydrochlortetracycline was produced by the acid degradation of chlortetracycline. Anhydrochlortetracycline only have a fraction of the antibacterial activity of chlortetracycline. Anhydrochlortetracycline strongly inhibited the growth of Streptomyces aureofaciem. Anhydrochlortetracycline showed a rather specific activity against actinomycetes. Preliminary data indicated that the compound showed no obvious toxicity to mice at doses of 160 mg/kg. Anhydrochlortetracycline showed a substantial in vitro activity against N. asteroides and S. salmonicida pathogens of man and fish, respectively 。

Specifications

Synonyms

Anhydrochlortetracycline Hydrochloride | (4S, 4aS, 12aR)-7-chloro-4-(dimethylamino)-1, 10, 11, 12a-tetrahydroxy-6-methyl-3, 12-dioxo-4a, 5-dihydro-4H-tetracene-2-carboxamide;hydrochloride | Anhydro Chlortetracycline Hydrochloride | ANHYDROCHLORTETRACYCLINE HYDRO

Specifications & Purity

Moligand™, ≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C14)Cl)O)O)O)O)C(=O)N)N(C)C.Cl
• IUPAC Name: (4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
• InChIKey: ISGAAFMBTIWTEU-DTTSPEASSA-N
• INCHI: 1S/C22H21ClN2O7.ClH/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14;/h4-5,9,16,26-27,30,32H,6H2,1-3H3,(H2,24,31);1H/t9-,16-,22-;/m0./s1
• Isomeric SMILES: CC1=C2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C14)Cl)O)O)O)O)C(=O)N)N(C)C.Cl
• PubChem CID: 54710411
• Molecular Weight: 497.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Anthracenecarboxylic acids and derivatives Naphthols and derivatives Chloronaphthalenes Tetralins Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Cyclohexenones Aryl chlorides Vinylogous acids Tertiary alcohols Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Polyols Enols Hydrochlorides Organic oxides Organochlorides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - Anthracene carboxylic acid or derivatives - Chloronaphthalene - 1-naphthol - Naphthalene - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Tertiary alcohol - Vinylogous acid - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Enol - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrochloride - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 497.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 496.08 Da
• Monoisotopic Mass: 496.08 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 892.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

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