Norvancomycin hydrochloride - ≥95% , CAS No.213997-73-0

CAS: 213997-73-0 Cat. No.: N303038 Formula: C₆₅H₇₃Cl₂N₉O₂₄•XHCl Molecular Weight: 1435.2（free） PubChem CID: 92044444

GRADE & PURITY ≥95%

Synonyms

Norvancomycin | A51568A | 56-demethyl-vancomycin, hydrochloride | N-Demethylvancomycin (hydrochloride) | Desmethyl-vancomycin hydrochlorid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application:

Norvancomycin hydrochloride is used as a treatment for endocarditis, osteomyelitis, pneumonia, sepsis, or soft tissue infections caused by Staphylococcus.

Specifications

Synonyms

Norvancomycin | A51568A | 56-demethyl-vancomycin, hydrochloride | N-Demethylvancomycin (hydrochloride) | Desmethyl-vancomycin hydrochlorid

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488202563
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202563
• Canonical Smiles: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)N)O)Cl)CO)O)O)(C)N)O.Cl
• IUPAC Name: (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-[[(2R)-2-amino-4-methylpentanoyl]amino]-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride
• InChIKey: LLWFHCJFZGXUAT-UMXPSMRGSA-N
• INCHI: 1S/C65H73Cl2N9O24.ClH/c1-22(2)11-33(68)57(87)75-48-50(82)25-6-9-37(31(66)13-25)96-39-15-27-16-40(54(39)100-64-55(53(85)52(84)41(21-77)98-64)99-43-20-65(4,70)56(86)23(3)95-43)97-38-10-7-26(14-32(38)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-36(80)44(30)29-12-24(5-8-35(29)79)45(59(89)76-49)73-60(90)46(27)72-58(88)34(19-42(69)81)71-61(48)91;/h5-10,12-18,22-23,33-34,41,43,45-53,55-56,64,77-80,82-86H,11,19-21,68,70H2,1-4H3,(H2,69,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94);1H/t23-,33+,34-,41+,43-,45+,46+,47-,48+,49-,50+,51+,52+,53-,55+,56+,64-,65-;/m0./s1
• Isomeric SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N)O)Cl)CO)O)O)(C)N)O.Cl
• Alternate CAS: 198774-23-1
• PubChem CID: 92044444
• Molecular Weight: 1435.2（free）

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Cyclic peptides Aminoglycosides Phenolic glycosides Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Disaccharides Diarylethers O-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides N-acyl amines Oxanes Secondary carboxylic acid amides 1,2-aminoalcohols Primary carboxylic acid amides Secondary alcohols Lactams Amino acids Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Primary alcohols Organic oxides Organopnictogen compounds Carbonyl compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Aminoglycoside core - Phenolic glycoside - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Disaccharide - Diaryl ether - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Fatty acyl - Benzenoid - Oxane - Fatty amide - N-acyl-amine - Lactam - Primary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Amino acid or derivatives - Acetal - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Ether - Polyol - Monocarboxylic acid or derivatives - Organohalogen compound - Primary alcohol - Primary amine - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Carbonyl group - Alcohol - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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: Moisture sensitive
• Molecular Weight: 1471.700 g/mol
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 12
• Exact Mass: 1469.39 Da
• Monoisotopic Mass: 1469.39 Da
• Topological Polar Surface Area: 544.000 Ų
• Heavy Atom Count: 101
• Formal Charge: 0
• Complexity: 2940.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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

XLogP3

References

1. Tingting Liu, Xiaomin Chen, Guanxuanzi Zhang, Jing Zhao, Qian Lu, Fang Wang, Hongxia Li, Bing Liu, Ping Zhu.  (2024)  An LCMS/MS method for the simultaneous determination of ten antimicrobials and its application in critically ill patients.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:39357099] [10.1016/j.jpba.2024.116489]

2. Chen Huang, Ling-Jie Guo, Jia-Yi Li, Yue-Wen Chen, Bing Wu, Yi-Wei Liu, Chen-Zhi Zhang, Wei-Wei Lin, Ye Yang, Jin-Yuan Chen, Zhou-Jie Liu.  (2025)  A CRISPR-Cas12a Fluorescent Aptasensor for Point-of-Care Drug Concentration Detection: A Synergistic Regulation by DNA Aptamer and RNA Blocker.  ANALYTICAL CHEMISTRY,      [PMID:41144643] [10.1021/acs.analchem.5c03744]