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Oxytetracycline anhydrous

CAT: 0926-FO31724-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FO31724-01Size:0.25 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79-57-2
MDL Number
MFCD00003700
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
Molecular Formula
C22H24N2O9
Molecular Weight
460.43 g/mol
Controlled
No

Chemical Information

Terramycin

Oxytetracycline (internal use) can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number79-57-2
PubChem CID54675779
IUPAC Name(4S,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-PXOLEDIWSA-N
Chemical Structure
2D Structure
2D structure of Terramycin
CAS: 79-57-2
CID: 54675779
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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