Azithromycin B

C₃₈H₇₂N₂O₁₁CAS 307974-61-4733.00 g/mol

Open in Covalent MOL file

Acetal Alcohol Ester Ether Lactone Tertiary amine

Properties

Molecular formula: C₃₈H₇₂N₂O₁₁
Molar mass: 733.00 g/mol
Exact mass: 732.5136 Da
logP: 2.79Crippen estimate
Polar surface area: 159.8 Å²
H-bond donors / acceptors: 4 / 13
Rotatable bonds: 7
Stereocentres: R, R, S, R, R, R, R, S, S, R, R, R, S, S, S, R, S, Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

307974-61-4

SMILES

CC[C@@H]1[C@@H]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)C

InChIKey

JBYIGHZCRVMHAK-VINPOOLWSA-N

InChI

InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Azithromycin impurity B

Work with Azithromycin B

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

Azithromycin83905-01-583 % similar Azithromycin dihydrate117772-70-081 % similar 2-Desethyl-2-propylazithromycin763924-54-579 % similar Azithromycin F612069-26-872 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-971 % similar Erythromycin114-07-868 % similar Erythromycin A 11,12-carbonate55224-05-066 % similar Erythromycin A oxime13127-18-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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