REZAFUNGIN ACETATE

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 Search

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

Description
Sources: http://www.cidara.com/wp-content/uploads/2014/12/A-694.-Biafungin-CD101-a-Novel-Echinocandin-Displays-a-Long-Half-life-in-the-Chimpanzee-Suggesting-a-Once-Weekly-IV-Dosing-Option.pdf | https://clinicaltrials.gov/ct2/show/NCT02733432 | https://www.ncbi.nlm.nih.gov/pubmed/29307565

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.

Originator

Approval Year

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

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 UTC 2023` Edited by `admin` on `Sat Dec 16 11:16:31 UTC 2023`
Record UNII	W1U1TMN677
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REZAFUNGIN ACETATE

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