Products for Research Use Only
RegisterLogin

Caspofungin Acetate 500mg

CAT: 0628-A11364-500Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A11364-500Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
179463-17-3

Chemical Information

Caspofungin Acetate

Caspofungin Acetate is the acetate salt of 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.

CAS Number179463-17-3
PubChem CID6850808
IUPAC Nameacetic acid;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
Molecular FormulaC56H96N10O19
Molecular Weight1213.4
Topological Polar Surface Area487
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count22
Rotatable Bond Count23
Heavy Atom Count85
Formal Charge0
Complexity1930
SMILES
CCC(C)CC(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.CC(=O)O.CC(=O)O
InChI
InChI=1S/C52H88N10O15.2C2H4O2/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;2*1-2(3)4/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);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+;;/m1../s1
InChIKey
OGUJBRYAAJYXQP-LLXMLGLCSA-N
Chemical Structure
2D Structure
2D structure of Caspofungin Acetate
CAS: 179463-17-3
CID: 6850808
Formula: C56H96N10O19
MW: 1213.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1213.4
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count22
Rotatable Bond Count23
Exact Mass1212.68532087
Monoisotopic Mass1212.68532087
Topological Polar Surface Area487 Ų
Heavy Atom Count85
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
A11364-25Caspofungin Acetate 25mg
A11364-200Caspofungin Acetate 200mg
A11364-100Caspofungin Acetate 100mg
A11364-5Caspofungin Acetate 5mg
A11364-50Caspofungin Acetate 50mg
A11364-1000Caspofungin Acetate 1g
A11364-10Caspofungin Acetate 10mg
A11364-10mM-DCaspofungin Acetate 10mM * 1mL in DMSO
A22551-500Atosiban acetate 500mg
A12613-500Abarelix Acetate 500mg

Alternative Products

CatalogName
B2083-5Caspofungin Acetate
TRC-C184902-0.5MGCaspofungin Acetate-d4

Popular Products