U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C52H88N10O15.2C2H4O2
Molecular Weight 1213.417
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASPOFUNGIN ACETATE

SMILES

CC(O)=O.CC(O)=O.[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=OGUJBRYAAJYXQP-IJFZAWIJSA-N
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-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CASPOFUNGIN ACETATE
JAN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
CASPOFUNGIN ACETATE [VANDF]
Common Name English
CANCIDAS
Brand Name English
CASPOFUNGIN ACETATE [MART.]
Common Name English
Caspofungin acetate [WHO-DD]
Common Name English
1-((4R,5S)-5-((2-AMINOETHYL)AMINO)-N(SUP 2)-(10,12-DIMETHYL-1-OXOTETRADECYL)-4-HYDROXY-L-ORNITHINE)-5-((3R)-3-HYDROXY-L-ORNITHINE)PNEUMOCANDIN B(SUB 0), DIACETATE (SALT)
Common Name English
MK-0991
Code English
CASPOFUNGIN DIACETATE
Common Name English
CASPOFUNGIN ACETATE [USAN]
Common Name English
CASPOFUNGIN ACETATE [MI]
Common Name English
CASPOFUNGIN ACETATE [JAN]
Common Name English
CASPOFUNGIN ACETATE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
Code System Code Type Description
RXCUI
282363
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m3159
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY Merck Index
DAILYMED
VUW370O5QE
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
SMS_ID
100000089286
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
NCI_THESAURUS
C1724
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
DRUG BANK
DBSALT000020
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
CHEBI
59900
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
USAN
KK-07
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
EVMPD
SUB12476MIG
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
FDA UNII
VUW370O5QE
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID60904590
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
PUBCHEM
16119813
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
ChEMBL
CHEMBL499808
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY
CAS
179463-17-3
Created by admin on Fri Dec 15 16:09:54 UTC 2023 , Edited by admin on Fri Dec 15 16:09:54 UTC 2023
PRIMARY