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Minocycline EP Impurity C

CAT: 1299-RM-M140303-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M140303-01Size:10 mg
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CAS Number
4708-96-7
Synonyms
(4S,4aS,5aR,12aS) -4- (Dimethylamino) -3,10,12,12a-tetrahydroxy-7- (methylamino) -1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Molecular Formula
C22H25N3O7
Molecular Weight
443.45
Target Alternative Name
Minocycline
Product Name Synonym
(4S,4aS,5aR,12aS) -4- (Dimethylamino) -3,10,12,12a-tetrahydroxy-7- (methylamino) -1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

Chemical Information

N7-Demethylminocycline
CAS Number4708-96-7
PubChem CID54739048
IUPAC Name(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(methylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC22H25N3O7
Molecular Weight443.4
XLogP-0.7
Topological Polar Surface Area173
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity942
SMILES
CNC1=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)O)C(=O)N)N(C)C
InChI
InChI=1S/C22H25N3O7/c1-24-11-4-5-12(26)14-9(11)6-8-7-10-16(25(2)3)18(28)15(21(23)31)20(30)22(10,32)19(29)13(8)17(14)27/h4-5,8,10,16,24,26-27,30,32H,6-7H2,1-3H3,(H2,23,31)/t8-,10-,16-,22-/m0/s1
InChIKey
UCOXGFBGSLDEPZ-ADMKQJKVSA-N
Chemical Structure
2D Structure
2D structure of N7-Demethylminocycline
CAS: 4708-96-7
CID: 54739048
Formula: C22H25N3O7
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP3-0.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass443.16925015
Monoisotopic Mass443.16925015
Topological Polar Surface Area173 Ų
Heavy Atom Count32
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes