Rifamycin B - ≥95% , CAS No.13929-35-6

CAS: 13929-35-6 Cat. No.: R335088 Summenformel: C₃₉H₄₉NO₁₄ Molekulargewicht: 755.8 Beilstein Registry Number: 604953 EG-Nummer: 237-697-8 PubChem CID: 5459948

GRADE & PURITY ≥95%

Synonyms

Nancimycin | DTXSID901037384 | SCHEMBL637162 | Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate | CHEBI:89827 | RIF

Storage

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

Shipped In

Ice chest + Ice pads

Übersicht

Application

Rifamycin B (Rifaximin EP Impurity B) is a Rifamycin derivative as antibacterial agent.

Specifications

Synonyme

Nancimycin | DTXSID901037384 | SCHEMBL637162 | Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate | CHEBI:89827 | RIF

Spezifikationen & Reinheit

≥95%

Storage

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504763825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763825
• Kanonisches Lächeln: CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O)C
• IUPAC Name: 2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl]oxy]acetic acid
• InChIKey: SQTCRTQCPJICLD-KTQDUKAHSA-N
• INCHI: 1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
• Isomere SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O)/C
• RTECS: AH0525000
• PubChem CID: 5459948
• Molekulargewicht: 755.8
• Beilstein: 604953

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Macrolactams

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Naphthofurans Phenoxyacetic acid derivatives Naphthols and derivatives Benzofurans Coumarans Aryl alkyl ketones Alkyl aryl ethers Ketals Dicarboxylic acids and derivatives Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Macrolactam - 1-naphthol - Phenoxyacetate - Naphthalene - Benzofuran - Coumaran - Aryl alkyl ketone - Aryl ketone - Ketal - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Ketone - Lactam - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
• External Descriptors: Ansamycins and related polyketides

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO, ethyl acetate, and methanol.
• Empfindlichkeit: Light sensitive
• Brechungsindex: n20D1.63 (Predicted)
• Siedepunkt (°C): ~961.5° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): >168° C (dec.)
• Molekulargewicht: 755.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 755.315 Da
• Monoisotopic Mass: 755.315 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1460.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

Referenzen

1. Hong Khanh Trung, Dang Huu Phuc, Le Hanh Ngoc Thi, Dieu Nguyen, Duyen Ky, Nguyen Quoc Thang, Nguyen Van Cuong.  (2026)  Microwave-assisted synthesis of nitrogen-doped carbon quantum dots for dual fluorescence detection of Fe³⁺ ions and oxytetracycline.  APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING,  132  (3): (226).  [PMID:] [10.1007/s00339-026-09425-1]