Tigecycline for system suitability CRS
Product Code
EPY0001940
CAS Number
Product Format
Mixture
Molecular Formula
C29 H39 N5 O8
Molecular Weight
585.65
API Family
TigecyclineProduct Categories
Alternate CAS Number
Price and availability
Product Information
Product Data
Analyte Name
Tigecycline
CAS Number
220620-09-7
Molecular Formula
C29 H39 N5 O8
Molecular Weight
585.65
Accurate Mass
585.2799
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C
InChI
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
IUPAC
(4S,4aS,5aR,12aS)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Alternate CAS Number
Hydrate: 1229002-07-6
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
FRANCE
Product Attributes
Product Format
Mixture
API Family
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