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Antibiotics and anti-infectives

Caspofungin

Also known as caspofungine, Caspofungina, caspofunginum

CAS 162808-62-0Formula C52H88N10O15Molar mass 1,093.33 g/mol
27 suppliers listed Drug substance
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Caspofungin chemical structure, C52H88N10O15, CAS 162808-62-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
162808-62-0
Formula
C52H88N10O15
Molar mass
1,093.33 g/mol
Solubility
Mol wt, 1213.41. Hygroscopic white to off-white powder. Freely sol in water, methanol, s…
HS code
293379
Category
Antibiotics and anti-infectives

What is Caspofungin?

Plain description, key identifiers and synonyms

Caspofungin is an antimycotic echinocandin lipopeptide, semisynthetically derived from a fermentation product of the fungus Glarea lozoyensis. Caspofungin inhibits 1,3-beta-glucan synthase, resulting in decreased synthesis of beta(1,3)-D-glucan (an essential component of the fungal cell wall), weakening of the fungal cell wall, and fungal cell wall rupture. This agent is active against Aspergillus and Candida species.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
CAS number
162808-62-0 CAS number cross-checked
Molecular formula
C52H88N10O15
UNII
F0XDI6ZL63
InChIKey
JYIKNQVWKBUSNH-WVDDFWQHSA-N
InChI
InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1
Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(NCCN)NC(=O)C2C(O)CCN2C(=O)C(C(O)CCN)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
Isomeric SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O

Synonyms

  • caspofungine
  • Caspofungina
  • caspofunginum
  • Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-
  • pneumocandin b0, 1-((4R,5S)-5-((2-aminoethyl)amino)-n2-((10R,12S)-10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-l-ornithine)-5-((3R)-3-hydroxy-l-ornithine)-
  • (10R,12S)-caspofungin

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
Mol wt, 1213.41. Hygroscopic white to off-white powder. Freely sol in water, methanol, slightly sol in ethanol /Acetate/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
1,093.33 g/molcalc.
Exact mass
1,092.6431 Dacalc.
LogP (octanol/water)
-3.31calc.
Topological polar surface area
412 Ųcalc.
Hydrogen bond donors
16calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
23calc.
Heavy atoms
77calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
16calc.
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=C1CCCCNC(=O)C2CCCN2C(=O)CNC(=O)C(CCc2ccccc2)NC(=O)C2CCCN2C(=O)CN1

O=C1CCCCNC(=O)C2CCCN2C(=O)CNC(=O)C(CCc2ccccc2)NC(=O)C2CCCN2C(=O)CN1

4 rings, 41 atoms.

51 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.

Caspofungin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 27 suppliers
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Where suppliers are based

27 suppliers in 10 countries

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Caspofungin 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

Therapeutic category: Antifungal.

Pharmacological actions

  • Antifungal Agents
  • Enzyme Inhibitors

Roles

  • antiinfective agent
  • pharmaceutical

Pharmacology

Caspofungin is an Echinocandin Antifungal.

How it is made

Preparation: J.M. Balkovec et al., WO 9421677, eidem, US 5378804 (1994, 1995 both to Merck & Co.)

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 Caspofungin is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Caspofungin?

Caspofungin is an antimycotic echinocandin lipopeptide, semisynthetically derived from a fermentation product of the fungus Glarea lozoyensis.

What is the CAS number of Caspofungin?

The CAS registry number of Caspofungin is 162808-62-0.

What is the molecular formula and weight of Caspofungin?

The molecular formula of Caspofungin is C52H88N10O15 and its molar mass is 1,093.33 g/mol.

What is Caspofungin used for?

Therapeutic category: Antifungal.

Is Caspofungin hazardous?

No GHS hazard classification for Caspofungin 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 Caspofungin?

Caspofungin is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Caspofungin?

CompoundList lists 27 suppliers of Caspofungin in China, India, United States, United Arab Emirates and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Caspofungin in India?

4 suppliers in India list Caspofungin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Caspofungin?

Suppliers quote Caspofungin 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 Caspofungin

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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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