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Minocycline Impurity 23

CAT: 1299-RM-M140323-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M140323-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32598-29-1
Synonyms
(4S,4aS,5aR,12aS) -4- (dimethylamino) -7- (ethyl (methyl) amino) -3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Molecular Formula
C24H29N3O7
Molecular Weight
471.51
Target Alternative Name
Minocycline
Product Name Synonym
(4S,4aS,5aR,12aS) -4- (dimethylamino) -7- (ethyl (methyl) amino) -3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

Chemical Information

7-Ethylmethylamino Sancycline (90%)
CAS Number32598-29-1
PubChem CID71316643
IUPAC Name(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-[ethyl(methyl)amino]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC24H29N3O7
Molecular Weight471.5
XLogP-0.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity989
SMILES
CCN(C)C1=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/C24H29N3O7/c1-5-27(4)13-6-7-14(28)16-11(13)8-10-9-12-18(26(2)3)20(30)17(23(25)33)22(32)24(12,34)21(31)15(10)19(16)29/h6-7,10,12,18,28-29,32,34H,5,8-9H2,1-4H3,(H2,25,33)/t10-,12-,18-,24-/m0/s1
InChIKey
OHWRVEPIOJPBBO-LRSHKJBPSA-N
Chemical Structure
2D Structure
2D structure of 7-Ethylmethylamino Sancycline (90%)
CAS: 32598-29-1
CID: 71316643
Formula: C24H29N3O7
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP3-0.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass471.20055027
Monoisotopic Mass471.20055027
Topological Polar Surface Area165 Ų
Heavy Atom Count34
Formal Charge0
Complexity989
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

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