chempirical

Minocycline

C23H27N3O7CAS 10118-90-8457.48 g/mol

Open in Covalent MOL file
NOHNOHNH2OOOHOHO
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C23H27N3O7
Molar mass
457.48 g/mol
Exact mass
457.1849 Da
logP
1.24Crippen estimate
Polar surface area
165.6 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
3
Stereocentres
R, S, S, Sin SMILES atom order

Identifiers

CAS number
10118-90-8
SMILES
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=N)O)C(=O)[C@@]3(O)C(O)=C1C2=O
InChIKey
DYKFCLLONBREIL-KVUCHLLUSA-N
InChI
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, [4S-(4α,4aα,5aα,12aα)]-
  • (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
  • 7-Dimethylamino-6-demethyl-6-deoxytetracycline
  • CL 59806
  • Minocyclin
  • Tri-minocycline
  • Minocyn
  • Dynacin
  • Zacnan
  • Minosine

Work with Minocycline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Minocycline hydrochloride13614-98-796 % similar Sancycline808-26-475 % similar Tigecycline220620-09-766 % similar (-)-Tetracycline60-54-861 % similar Chlortetracycline57-62-561 % similar Demeclocycline hydrochloride64-73-360 % similar (-)-Tetracycline hydrochloride64-75-559 % similar Chlortetracycline hydrochloride64-72-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Zolpidem tartrate99294-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook