chempirical

Sancycline hydrochloride

C21H23ClN2O7CAS 6625-20-3450.87 g/mol

Open in Covalent MOL file
NOHOOONH2OHOHOHHCl
AlcoholAlkeneAmideKetonePhenolTertiary amine

Properties

Molecular formula
C21H23ClN2O7
Molar mass
450.87 g/mol
Exact mass
450.1194 Da
logP
0.39Crippen estimate
Polar surface area
161.4 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
2
Stereocentres
S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6625-20-3
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O.Cl
InChIKey
CIJFGLCHAOVWRZ-QKYUADJBSA-N
InChI
InChI=1S/C21H22N2O7.ClH/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29;/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29);1H/t9-,10-,15-,21-;/m0./s1

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Work with Sancycline hydrochloride

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

Sarecycline hydrochloride1035979-44-273 % similar Sancycline808-26-454 % similar Omadacycline tosylate1075240-43-551 % similar Minocycline hydrochloride13614-98-744 % similar (-)-Tetracycline hydrochloride64-75-543 % similar Oxytetracycline calcium7179-50-241 % similar Minocycline10118-90-841 % similar (-)-Tetracycline60-54-840 % similar

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

Elsewhere

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