CASPOFUNGIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H88N10O15
Molecular Weight	1093.3131
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CASPOFUNGIN

Structure Search

SMILES

[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]3([H])[C@@H](O)CCN3C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O

InChI

InChIKey=JYIKNQVWKBUSNH-WVDDFWQHSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CASPOFUNGIN

Official Name

English

caspofungin [INN]

Common Name

English

CASPOFUNGIN [HSDB]

Common Name

English

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)-

Systematic Name

English

L-743,872

Code

English

L-743872

Code

English

Caspofungin [WHO-DD]

Common Name

English

CASPOFUNGIN [EMA EPAR]

Common Name

English

CASPOFUNGIN [MI]

Common Name

English

CASPOFUNGIN [VANDF]

Common Name

English

(4R,5S)-5-((2-AMINOETHYL)AMINO)-N2-(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 (1->6) DISULFIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

NDF-RT

N0000175507

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

WHO-ATC

J02AX04

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

NDF-RT

N0000175508

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

WHO-VATC

QJ02AX04

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

NDF-RT

N0000175508

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

LIVERTOX

156

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID30873204

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

HSDB

7476

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

EVMPD

SUB16405MIG

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

CAS

162808-62-0

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

DAILYMED

F0XDI6ZL63

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

DRUG BANK

DB00520

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

WIKIPEDIA

CASPOFUNGIN

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

MERCK INDEX

m3159

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C28910

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

ChEMBL

CHEMBL499808

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

RXCUI

140108

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

RxNorm

LACTMED

Caspofungin

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

MESH

C105417

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

FDA UNII

F0XDI6ZL63

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

SMS_ID

100000089518

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

CHEBI

474180

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

DRUG CENTRAL

2977

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

PUBCHEM

16119814

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

INN

7778

Created by admin on Fri Dec 15 16:31:45 UTC 2023 , Edited by admin on Fri Dec 15 16:31:45 UTC 2023

PRIMARY

ACTIVE MOIETY


					F0XDI6ZL63

METABOLITE (PARENT)

9548016401

DIHYDROXYHOMOTYROSINE, (S,S,S)-

METABOLITE (PARENT)


					CA7LF5HCB2

L-PROLINAMIDE, (4R)-1-(10,12-DIMETHYL-1-OXOTETRADECYL)-4,5-DIHYDROXY-D-PROLYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-(4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-(3R)-3-HYDROXY-L-ORNITHYL-3-HYDROXY-, (3S)-

METABOLITE (PARENT)


					G576T715CG

N-ACETYL-DIHYDROXYHOMOTYROSINE, (S,S,S)-

SALT/SOLVATE (PARENT)


					VUW370O5QE

CASPOFUNGIN ACETATE