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Details

Stereochemistry ABSOLUTE
Molecular Formula C63H85N8O17.C2H3O2
Molecular Weight 1285.4364
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REZAFUNGIN ACETATE

SMILES

CC([O-])=O.[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]3([H])[C@@H](O)[C@@H](C)CN3C(=O)[C@@]([H])(NC(=O)C(NC2=O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(OCCCCC)C=C7)[C@@H](C)O

InChI

InChIKey=MXMWJAPNUIKPGF-MLAUIKIVSA-N
InChI=1S/C63H84N8O17.C2H4O2/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81;1-2(3)4/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84);1H3,(H,3,4)/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51?,52-,53-,54-,55-,61+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C2H3O2
Molecular Weight 59.044
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C63H85N8O17
Molecular Weight 1226.3924
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 14 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Biafungin (formerly SP 3025 or CD101), a highly stable echinocandin and an antifungal drug that was studied against panels of Candida and Aspergillus clinical isolates. Biafungin was involved in phase II clinical trials in the treatment of acute moderate to severe vulvovaginal candidiasis. Seachaid Pharmaceuticals invented this drug. Then Cidara Therapeutics acquired a worldwide exclusive license to develop and commercialize the drug.

Approval Year

PubMed

PubMed

TitleDatePubMed
CD101: a novel long-acting echinocandin.
2016 Sep

Sample Use Guides

CD101 (Biafungin) Vaginal Gel (3%) intravaginally applied topical gel on Days 1 and 2. CD101 external gel (1%) applied topically twice daily over 72 hours as needed
Route of Administration: Vaginal
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:31 GMT 2023
Record UNII
W1U1TMN677
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REZAFUNGIN ACETATE
INN   USAN  
Official Name English
2-(((2R,6S,9S,11R,12R,14AS,15S,16S,20S,23S,25AS)-23-((1S,2S)-1,2-DIHYDROXY-2-(4-HYDROXYPHENY)ETHYL)-2,11,15-TETRAHYDROXY-6,20-BIS((1R)-1-HYDROXYETHYL)-16-METHYL-5,8,14,19,22,25-HEXAOXO-9-(34-(PENTYLOXY)-11,21:24,31-TERPHENYL-14-CARBOXAMIDO)TETRACOSAHYDRO
Systematic Name English
CD101 ACETATE
Code English
REZAFUNGIN ACETATE [USAN]
Common Name English
SP-3025 ACETATE
Code English
CD-101 ACETATE
Code English
BIAFUNGIN ACETATE
Common Name English
rezafungin acetate [INN]
Common Name English
ECHINOCANDIN B, 1-((4R,5R)-4-HYDROXY-N2-((4''-(PENTYLOXY)(1,1':4',1''-TERPHENYL)-4-YL)CARBONYL)-5-(2-(TRIMETHYLAMMONIO)ETHOXY)-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-ALLOTHREONINE)-, ACETATE (1:1)
Systematic Name English
Rezafungin acetate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
Code System Code Type Description
INN
10432
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
USAN
CD-181
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
NCI_THESAURUS
C152206
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
PUBCHEM
92135634
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
FDA UNII
W1U1TMN677
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
CAS
1631754-41-0
Created by admin on Sat Dec 16 11:16:31 GMT 2023 , Edited by admin on Sat Dec 16 11:16:31 GMT 2023
PRIMARY
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