Doxycycline

CAT: 0127-BUP17209-05Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17209-05Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

564-25-0

Synonyms

Vibramycin, Doxiciclina, Doxytetracycline, Doxycyclinum

Purity

=95%

Smiles

[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O

Chemical Information

4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid

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

CAS Number	564-25-0
PubChem CID	54671203
IUPAC Name	(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular Formula	C22H24N2O8
Molecular Weight	444.4
XLogP	-0.7
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	32
Formal Charge	0
Complexity	956

SMILES

C[C@@H]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

InChI

InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1

InChIKey

SGKRLCUYIXIAHR-AKNGSSGZSA-N

Chemical Structure

2D Structure

CAS: 564-25-0

CID: 54671203

Formula: C22H24N2O8

MW: 444.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.4
XLogP3	-0.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	444.15326573
Monoisotopic Mass	444.15326573
Topological Polar Surface Area	182 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	956
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
JL18756-01	Doxycycline (Doxycycline) ELISA Kit
BA1003-500	Doxycycline

Doxycycline

Chemical Information

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