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Impurities and reference standards

Vancomycin aglycone

Also known as Balhimycin aglycon, Vancomycin aglycon, Aglucovancomycin B

CAS 82198-76-3Formula C53H52Cl2N8O17Molar mass 1,143.94 g/mol
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Vancomycin aglycone chemical structure, C53H52Cl2N8O17, CAS 82198-76-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82198-76-3
Formula
C53H52Cl2N8O17
Molar mass
1,143.94 g/mol
HS code
294190
Category
Impurities and reference standards

What is Vancomycin aglycone?

Plain description, key identifiers and synonyms

Vancomycin aglycone is a peptide antibiotic that is vancomycin lacking the disaccharide moiety. It has a role as a metabolite. It is a heterodetic cyclic peptide, a peptide antibiotic, a polyphenol and a cyclic ether. It is a conjugate acid of a vancomycin aglycone(1-). It is a tautomer of a vancomycin aglycone zwitterion.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-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
CAS number
82198-76-3
Molecular formula
C53H52Cl2N8O17
UNII
CTG4FW5MNE
InChIKey
JHIKFOISFAQTJQ-YZANBJIASA-N
InChI
InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41+,42-,43+,44-,45-/m1/s1
Canonical SMILES
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
Isomeric SMILES
CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC

Synonyms

  • Balhimycin aglycon
  • Vancomycin aglycon
  • Aglucovancomycin B
  • Vancomycin EP Impurity C
  • Aglycovancomycin
  • (2-amino-2-oxo-ethyl)-dichloro-hexahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,143.94 g/molcalc.
Exact mass
1,142.2827 Dacalc.
LogP (octanol/water)
2.4calc.
Topological polar surface area
406.9 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
8calc.
Heavy atoms
80calc.
Rings
10calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCc2ccc(cc2)Oc2cc3cc(c2)C(NC(=O)CN1)C(=O)NC1C(=O)NC(Cc2ccc(cc2)O3)C(=O)NCc2ccccc2-c2cccc1c2

O=C1CCc2ccc(cc2)Oc2cc3cc(c2)C(NC(=O)CN1)C(=O)NC1C(=O)NC(Cc2ccc(cc2)O3)C(=O)NCc2ccccc2-c2cccc1c2

10 rings, 55 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vancomycin aglycone suppliers

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Vancomycin aglycone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vancomycin aglycone is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vancomycin aglycone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vancomycin aglycone, based on the data on this page

What is Vancomycin aglycone?

Vancomycin aglycone is a peptide antibiotic that is vancomycin lacking the disaccharide moiety. It has a role as a metabolite. It is a heterodetic cyclic peptide, a peptide antibiotic, a polyphenol and a cyclic ether. It is a conjugate acid of a vancomycin aglycone(1-).

What is the CAS number of Vancomycin aglycone?

The CAS registry number of Vancomycin aglycone is 82198-76-3.

What is the molecular formula and weight of Vancomycin aglycone?

The molecular formula of Vancomycin aglycone is C53H52Cl2N8O17 and its molar mass is 1,143.94 g/mol.

What is Vancomycin aglycone used for?

Known uses and roles of Vancomycin aglycone include metabolite.

Is Vancomycin aglycone hazardous?

No GHS hazard classification for Vancomycin aglycone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vancomycin aglycone?

Vancomycin aglycone is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vancomycin aglycone?

CompoundList lists 1 supplier of Vancomycin aglycone in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Vancomycin aglycone in India?

1 supplier in India list Vancomycin aglycone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Vancomycin aglycone?

Suppliers quote Vancomycin aglycone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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