Analyte Name

Diethanolamine Fusidate

CAS Number

16391-75-6

Molecular Formula

C31 H48 O6 . C4 H11 N O2

Molecular Weight

621.84

Accurate Mass

621.4241

Flash Point

4

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C)\C(=O)O)\[C@H](C[C@]34C)OC(=O)C.OCCNCCO

InChI

InChI=1S/C31H48O6.C4H11NO2/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;6-3-1-5-2-4-7/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);5-7H,1-4H2/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1

IUPAC

(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol

Alternate CAS Number

Free acid: 6990-06-3

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

UNITED KINGDOM

Tariff Code

29419000

Product Type

API

API Family

Diethanolamine Fusidate

Analytical Method

Monograph only