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Vancomycin chemical structure, C66H75Cl2N9O24, CAS 1404-90-6
2D chemical structure

Key facts

What buyers check first

CAS number
1404-90-6
Formula
C66H75Cl2N9O24
Molar mass
1,449.27 g/mol
Solubility
White solid, solubility in water: greater than 100 mg/mL, moderately soluble in methanol…
HS code
294190
Category
Antibiotics and anti-infectives

What is Vancomycin?

Plain description, key identifiers and synonyms

Vancomycin is a complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. It has a role as an antimicrobial agent, an antibacterial drug and a bacterial metabolite. It is functionally related to a vancomycin aglycone. It is a conjugate base of a vancomycin(1+).

Vancomycin is a pharmaceutical drug.

Identifiers

Registry numbers, names and line notations, tap to copy

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-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-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
1404-90-6 CAS number cross-checked
EC number
215-772-6
Molecular formula
C66H75Cl2N9O24
UNII
6Q205EH1VU
MDL number
MFCD05664587
InChIKey
MYPYJXKWCTUITO-LYRMYLQWSA-N
InChI
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/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(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O
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)NC)O)Cl)CO)O)O)(C)N)O

Synonyms

  • Vancomicina
  • Vancomycine
  • Vancomycinum
  • Vancocin HCL
  • Vancomycin Lilly
  • Sulfate, Vancomycin
  • Vancocine
  • Vancomycin EP Impurity I
  • C66H75Cl2N9O24
  • Vancomycin ( >85%)
  • Vancomycin (USP)
  • vancomicin
  • vanomycin
  • Vancomycin hydrochloride from Streptomyces orientalis
  • Viomycin derivative
  • Vancomycin Impurity M
  • Vancomycin (Standard)
  • Glycopeptide Antibiotic
  • Chloroorienticin B derivative
  • N-demethylvancomycin derivative
  • Sdccgsbi-0051233.p002
  • 4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole

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

Solubility
White solid, solubility in water: greater than 100 mg/mL, moderately soluble in methanol, insoluble in higher alcohols, acetone, ether, UV max absorption (water): 282 nm (e = 40, 1%, 1 cm) /Vancomycin hydrochloride/exp.

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
1,449.27 g/molcalc.
Exact mass
1,447.4302 Dacalc.
LogP (octanol/water)
0.11calc.
Topological polar surface area
530.5 Ųcalc.
Hydrogen bond donors
19calc.
Hydrogen bond acceptors
25calc.
Rotatable bonds
13calc.
Heavy atoms
101calc.
Rings
12calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
18calc.
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(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

12 rings, 69 atoms.

17 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (8)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Vancomycin suppliers

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Vancomycin 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

Medicine (antibiotic) (Vancomycin hydrochloride).

Therapeutic category: Antibacterial.

Pharmacological actions

  • Anti-Bacterial Agents

Roles

  • antibacterial agent
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • bacterial metabolite
  • metabolite
  • pharmaceutical
  • prokaryotic metabolite

Pharmacology

Vancomycin is a Glycopeptide Antibacterial.

How it is made

Found in the culture broth of Streptomyces orientalis.

Vancomycin is produced by the submerged fermentation process.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vancomycin 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 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Vancomycin?

Vancomycin is a complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. It has a role as an antimicrobial agent, an antibacterial drug and a bacterial metabolite.

What is the CAS number of Vancomycin?

The CAS registry number of Vancomycin is 1404-90-6.

What is the molecular formula and weight of Vancomycin?

The molecular formula of Vancomycin is C66H75Cl2N9O24 and its molar mass is 1,449.27 g/mol.

What is Vancomycin used for?

Medicine (antibiotic) (Vancomycin hydrochloride). Therapeutic category: Antibacterial.

Is Vancomycin hazardous?

Vancomycin carries the GHS signal word "Danger". Main hazards: may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Vancomycin?

Vancomycin 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?

CompoundList lists 66 suppliers of Vancomycin in United States, China, India, Germany and 14 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Vancomycin in India?

7 suppliers in India list Vancomycin 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?

Suppliers quote Vancomycin 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

Practical guides that help when you source, ship or handle Vancomycin

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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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