Description:
1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride is an impurity of Anidulafungin, a new echinocandin antifungal agent with indications for use in esophageal candidiasis and candidemia.
- Molecular Weight: 834.27
- Molecular Formula: C34H52ClN7O15
Canonical SMILES:
CC1CN2C(C1O)C(=O)NC(C(CC(C(=O)NC(C(=O)N3CC(CC3C(=O)NC(C(=O)NC(C2=O)C(C)O)C(C(C4=CC=C(C=C4)O)O)O)O)C(C)O)N)O)O.Cl
InChI:
InChI=1S/C34H51N7O15.ClH/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15;/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54);1H/t12-,13+,14+,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+;/m0./s1
InChIKey: FKIXKMLIKIOEJP-WJXYPMDHSA-N- Melting Point: >200°C (dec.)
- Solubility: Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
- Appearance: White to Off-White Solid
- Storage: Store at -20°C, Hygroscopic
Synonyms:
ECBN hydrochloride; ECBN HCL; A-30912A nucleus (hydrochloride)
More details are to be found on supplier website
