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caspofungin

CHEBI:CHEBI_474180

Definition

A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.

Chemical Information

Molecular Formula
C52H88N10O15
Molecular Mass
1093.315
Charge
0
SMILES
[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](NCCN)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CCN)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
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
InChIKey
JYIKNQVWKBUSNH-WVDDFWQHSA-N

Alternative Names

  • 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0
  • caspofungin
  • Caspofungin
  • (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide
  • (10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:474180
oboInOwl#hasDbXref
Patent:WO9421677
DRON_00010000
140108

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

core#notation
CHEBI:474180
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Patent:WO9421677
DRON_00010000
140108
oboInOwl#id
CHEBI:474180
oboInOwl#hasAlternativeId
CHEBI:599509
product_type
BULK INGREDIENT
marketing_category
EXPORT ONLY
listing_expiration_date
20241231
dosage_form
INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION
marketing_start_date
20171029
labeler_name
Merck Sharp & Dohme Corp.
generic_name
Caspofungin Acetate IH
brand_name
caspofungin acetate
brand_name_base
caspofungin acetate
product_ndc
62227-022
application_number
NDA206110
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_131609
rxcui
828757
active_ingredient_strength
50 kg/50kg
route
INTRAVENOUS
package_marketing_start_date
20171029
manufacturer_name
Almaject, Inc.
active_ingredient_name
CASPOFUNGIN
spl_id
c68f4360-cd73-b8ae-e053-2a95a90ac756
package_ndc
62227-022-01
package_description
1 kg in 1 BAG (62227-022-01)
unii
VUW370O5QE
spl_set_id
e76d8d83-3691-451c-a32c-d91448c54d16
pharm_class
Lipopeptides [CS]
upc
0372611700014
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_0050292
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_109315
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect25283
owl#annotatedSource
t228282
owl#someValuesFrom
t3003382