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Oxytetracycline Dihydrate

CAT: 0607-B2001-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B2001-5.1Size:10 mM (in 1mL DMSO)
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Description
Prescription antibiotic
CAS Number
6153-64-6
Product Name Alternative
(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; dihydrate
Purity
0.9811
Solubility
Insoluble in H2O; insoluble in EtOH; ≥18.4 mg/mL in DMSO with gentle warming
Smiles
CC1 (C2C (C3C (C (=O) C (=C (C3 (C (=O) C2=C (C4=C1C=CC=C4O) O) O) O) C (=O) N) N (C) C) O) O.O.O
Molecular Formula
C22H24N2O9·2H2O
Molecular Weight
496.46
Shipping Conditions
Blue Ice
Storage Conditions
Store at -20°C
Physical Properties
A solid

Chemical Information

Oxytetracycline dihydrate

See also: Oxytetracycline Calcium (annotation moved to); Oxytetracycline Dihydrate (annotation moved to); Oxytetracycline Hydrochloride (annotation moved to) ... View More ...

CAS Number6153-64-6
PubChem CID54680691
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;dihydrate
Molecular FormulaC22H28N2O11
Molecular Weight496.5
Topological Polar Surface Area204
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Heavy Atom Count35
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.O.O
InChI
InChI=1S/C22H24N2O9.2H2O/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);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
InChIKey
IMLJLCJZQLGHJS-JEKSYDDFSA-N
Chemical Structure
2D Structure
2D structure of Oxytetracycline dihydrate
CAS: 6153-64-6
CID: 54680691
Formula: C22H28N2O11
MW: 496.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight496.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass496.16930971
Monoisotopic Mass496.16930971
Topological Polar Surface Area204 Ų
Heavy Atom Count35
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 Count3
Compound Is CanonicalizedYes

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