chempirical

Sarecycline hydrochloride

C24H30ClN3O8CAS 1035979-44-2523.97 g/mol

Open in Covalent MOL file
NOOOH2NHOHOHOHONOHCl
AlcoholAlkeneAmideKetonePhenolTertiary amine

Properties

Molecular formula
C24H30ClN3O8
Molar mass
523.97 g/mol
Exact mass
523.1721 Da
logP
0.38Crippen estimate
Polar surface area
173.9 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
5
Stereocentres
S, S, R, Rin SMILES atom order

Identifiers

CAS number
1035979-44-2
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)CN(C)OC.Cl
InChIKey
JGPBDCKZLBSHOI-FIPJBXKNSA-N
InChI
InChI=1S/C24H29N3O8.ClH/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33;/h5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33);1H/t11-,13-,18-,24-;/m0./s1

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

Names and synonyms

1 names
  • P005672 Hydrochloride

Work with Sarecycline 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

Omadacycline tosylate1075240-43-550 % similar Minocycline hydrochloride13614-98-745 % similar Minocycline10118-90-842 % similar Sancycline808-26-440 % similar Demeclocycline hydrochloride64-73-336 % similar Chlortetracycline hydrochloride64-72-236 % similar (-)-Tetracycline hydrochloride64-75-536 % similar Chlortetracycline57-62-533 % similar

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

Elsewhere

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