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Heterocyclic compounds

Avoparcin

Also known as Avoparcina, Avoparcine, Avoparcinum

CAS 37332-99-3Formula C83H92ClN9O31Molar mass 1,747.13 g/molEC 253-466-4
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Avoparcin chemical structure, C83H92ClN9O31, CAS 37332-99-3
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
White, amorphous solid
Melting point
No definitive melting point
Solubility
Soluble in water
HS code
293499
Category
Heterocyclic compounds
Illustrative photo, fine white powder in an amber glass reagent bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Avoparcin?

Plain description, key identifiers and synonyms

Avoparcin alpha is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,4S,5S,6R)-3-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-18,32,35,37-tetrahydroxy-22-(4-hydroxyphenyl)-19-[[(2R)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]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-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
CAS number
37332-99-3
EC number
253-466-4
Molecular formula
C83H92ClN9O31
UNII
WJ13O9MNTI
InChIKey
OTKPPUXRIADSGD-PPRNARJGSA-N
InChI
InChI=1S/C83H92ClN9O31/c1-30-64(99)46(85)27-54(115-30)122-72-37-12-20-50(45(84)22-37)120-52-24-38-23-51(73(52)124-83-74(70(105)68(103)53(29-94)121-83)123-55-28-47(86)65(100)31(2)116-55)118-41-17-9-35(10-18-41)67(102)62(92-75(107)57(87-4)33-7-15-42(16-8-33)119-82-71(106)69(104)66(101)32(3)117-82)79(111)88-58(34-5-13-39(95)14-6-34)76(108)90-60(38)78(110)89-59-36-11-19-48(97)43(21-36)56-44(25-40(96)26-49(56)98)61(81(113)114)91-80(112)63(72)93-77(59)109/h5-26,30-32,46-47,53-55,57-72,74,82-83,87,94-106H,27-29,85-86H2,1-4H3,(H,88,111)(H,89,110)(H,90,108)(H,91,112)(H,92,107)(H,93,109)(H,113,114)/t30-,31-,32-,46+,47+,53+,54-,55-,57+,58-,59+,60+,61-,62+,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,74?,82-,83-/m0/s1
Canonical SMILES
CNC(C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(N)C(O)C(C)O2)Oc2ccc(cc2)C1O)c1ccc(OC2OC(C)C(O)C(O)C2O)cc1
Isomeric SMILES
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9C([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)OC1=CC=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)C1=CC=C(C=C1)O)NC(=O)[C@@H](C1=CC=C(C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)O)O)C(=O)O)N)O

Synonyms

  • Avoparcina
  • Avoparcine
  • Avoparcinum
  • Avotan
  • Compound 254
  • Avotan 50
  • CL 81,588
  • CL 81,587

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

Appearance
White, amorphous solidexp.
Melting point
No definitive melting pointexp.
Solubility
Soluble in waterexp.

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
1,747.13 g/molcalc.
Exact mass
1,745.5588 Dacalc.
LogP (octanol/water)
-0.35calc.
Topological polar surface area
631.3 Ųcalc.
Hydrogen bond donors
23calc.
Hydrogen bond acceptors
33calc.
Rotatable bonds
15calc.
Heavy atoms
124calc.
Rings
16calc.
Aromatic rings
7calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
27calc.
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=C(Cc1ccc(OC2CCCCO2)cc1)NC1Cc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)C(OC2CCCCO2)C2NC(=O)C(NC(=O)C3NC(=O)C(c3ccccc3)NC1=O)c1cccc(c1)-c1ccccc1CNC2=O

O=C(Cc1ccc(OC2CCCCO2)cc1)NC1Cc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)C(OC2CCCCO2)C2NC(=O)C(NC(=O)C3NC(=O)C(c3ccccc3)NC1=O)c1cccc(c1)-c1ccccc1CNC2=O

16 rings, 99 atoms.

1 other chemical 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.

Avoparcin suppliers

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Where suppliers are based

1 supplier in 1 country

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Avoparcin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Anti-Bacterial Agents.

Veterinary medication:.

A glycopeptide antibiotic.

Feed additive for food-producing species.

How it is made

Avoparcin is a glycopeptide antibiotic complex produced by Streptomyces candidus. It consists of a mixture of alpha- and beta-avoparacin (chlorine-substituted analogue).

Production: M. P. Kunstmann, J. N. Porter, USA patent 3338786 (1967 to American Cyanamid).

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 Avoparcin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Avoparcin, based on the data on this page

What is Avoparcin?

Avoparcin alpha is an oligopeptide.

What is the CAS number of Avoparcin?

The CAS registry number of Avoparcin is 37332-99-3.

What is the molecular formula and weight of Avoparcin?

The molecular formula of Avoparcin is C83H92ClN9O31 and its molar mass is 1,747.13 g/mol.

What is Avoparcin used for?

Anti-Bacterial Agents. Veterinary medication:. A glycopeptide antibiotic. Feed additive for food-producing species.

Is Avoparcin hazardous?

No GHS hazard classification for Avoparcin 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 Avoparcin?

Avoparcin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avoparcin?

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

What is the price of Avoparcin?

Suppliers quote Avoparcin 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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