API Export of Caspofungin obtained from Indian Customs Trade Statistics

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Chemistry

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Also known as: Cancidas, Caspofungin diacetate, 179463-17-3, Mk 0991, L 743872, Cancidas (tn)
Molecular Formula
C56H96N10O19
Molecular Weight
1213.4  g/mol
InChI Key
OGUJBRYAAJYXQP-LLXMLGLCSA-N

Caspofungin
A cyclic lipopeptide echinocandin and beta-(1,3)-D-glucan synthase inhibitor that is used to treat internal or systemic MYCOSES.
1 2D Structure

Caspofungin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
acetic 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
2.1.2 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
2.1.3 InChI Key
OGUJBRYAAJYXQP-LLXMLGLCSA-N
2.1.4 Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
2.1.5 Isomeric 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
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Cancidas

2. Caspofungin

3. Caspofungin Msd

4. L 743,872

5. L 743872

6. L-743,872

7. L-743872

8. L743,872

9. L743872

10. Mk 0991

11. Mk-0991

12. Mk0991

2.2.2 Depositor-Supplied Synonyms

1. Cancidas

2. Caspofungin Diacetate

3. 179463-17-3

4. Mk 0991

5. L 743872

6. Cancidas (tn)

7. Mk-0991

8. Caspofungin Acetate- Bio-x

9. Schembl149293

10. L 743873

11. Chembl4297142

12. Caspofungin Acetate (jan/usan)

13. Mfcd08141839

14. Akos025401982

15. Ac-27763

16. Bc164293

17. D02501

18. F20901

19. 463c173

2.3 Create Date
2006-06-06
3 Chemical and Physical Properties
Molecular Weight 1213.4 g/mol
Molecular Formula C56H96N10O19
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count22
Rotatable Bond Count23
Exact Mass1212.68532087 g/mol
Monoisotopic Mass1212.68532087 g/mol
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
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameCaspofungin acetate
Active IngredientCaspofungin acetate
Dosage FormInjectable
Routeinjection
Strength70mg/vial; 50mg/vial
Market StatusTentative Approval
CompanySandoz

2 of 2  
Drug NameCaspofungin acetate
Active IngredientCaspofungin acetate
Dosage FormInjectable
Routeinjection
Strength70mg/vial; 50mg/vial
Market StatusTentative Approval
CompanySandoz

4.2 Drug Indication

- Treatment of invasive candidiasis in adult or paediatric patients.

- Treatment of invasive aspergillosis in adult or paediatric patients who are refractory to or intolerant of amphotericin B, lipid formulations of amphotericin B and/or itraconazole. Refractoriness is defined as progression of infection or failure to improve after a minimum of 7 days of prior therapeutic doses of effective antifungal therapy.

- Empirical therapy for presumed fungal infections (such as Candida or Aspergillus) in febrile, neutropaenic adult or paediatric patients.


Fungal infections


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)


Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)


5.2 FDA Pharmacological Classification
5.2.1 Pharmacological Classes
Lipopeptides [CS]; Echinocandin Antifungal [EPC]
5.3 ATC Code

J02AX04


API Reference Price

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04-Jan-2021
22-Jul-2024
KGS
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DOSAGE - POWDER;INTRAVENOUS - 50MG/VIAL

USFDA APPLICATION NUMBER - 21227

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