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Oxytetracycline EP Impurity A

CAT: 1596-AR-O01718-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01718-01Size:25 Units
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CAS Number
14206-58-7
Synonyms
(4R,4aR,5S,5aR,6S,12aS) -4- (dimethylamino) -3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Molecular Formula
C22H24N2O9
Molecular Weight
460.44
API Name
Oxytetracycline

Chemical Information

4-Epioxytetracycline

See also: 4-epi-Oxytetracycline (annotation moved to).

CAS Number14206-58-7
PubChem CID54678403
IUPAC Name(4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Molecular FormulaC22H24N2O9
Molecular Weight460.4
XLogP-1.6
Topological Polar Surface Area202
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity1000
SMILES
C[C@@]1([C@H]2[C@@H]([C@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
InChI
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1
InChIKey
OWFJMIVZYSDULZ-DVJPNYBFSA-N
Chemical Structure
2D Structure
2D structure of 4-Epioxytetracycline
CAS: 14206-58-7
CID: 54678403
Formula: C22H24N2O9
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP3-1.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass460.14818035
Monoisotopic Mass460.14818035
Topological Polar Surface Area202 Ų
Heavy Atom Count33
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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