Ibrexafungerp citrate structure, CAS 1965291-08-0

Ibrexafungerp citrate

CAS Number1965291-08-0

SynonymsExact Mass 921.546326; InChIKey WKIRTJACGBEXBZ-FQGZCCSZSA-N; Synonyms

Molecular FormulaC50H75N5O11

Molecular Weight922.157

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Cat. No.: 2A-1195839 Purity:
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Chemical & Physical Properties
CAS Number1965291-08-0
Catalog No.2A-1195839
Chinese NameIbrexafungerp citrate
SynonymsExact Mass 921.546326; InChIKey WKIRTJACGBEXBZ-FQGZCCSZSA-N; Synonyms
Molecular FormulaC50H75N5O11
Molecular Weight922.157
PubChem ID381609314
SMILESCC(C)C(C)C1(C)CCC2(C)C3CCC4C5(COCC4(C)C(OCC(C)(N)C(C)(C)C)C(n4ncnc4-c4ccncc4)C5)C3=CCC2(C)C1C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C44H67N5O4.C6H8O7/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+;/m1./s1
InChI KeyWKIRTJACGBEXBZ-FQGZCCSZSA-N
Transport InfoProduct name: Ibrexafungerp citrate
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