Omadacycline

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Basic information
Standard English name
Cas No. 389139-89-3
Alias (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-((neopentylamino)methyl)-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
Canonical Smiles CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C3=C(O)C2=C1O)N(C)C)N(C)C
MDL No. MFCD19443723
Exact Mass 556.28970
Smiles CC(C)(CNCC1=CC(N(C)C)=C2C[C@H]3C[C@H]4[C@H](N(C)C)C(C(C(N)=O)=C(O)[C@@]4(O)C(C3=C(O)C2=C1O)=O)=O)C
Security information
Character
Storage Condition
Melting Point
Boiling Point 837.6±65.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.39±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS08
Hazard Category H361;H302
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P201;P202;P281;P308+P313;P405;P501;P264;P270;P301+P312;P330;P501
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1
InchiKey VJYKVCURWJGLPG-IQZGDKDPSA-N
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