Telbivudine

C₁₀H₁₄N₂O₅CAS 3424-98-4242.23 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₀H₁₄N₂O₅
Molar mass: 242.23 g/mol
Exact mass: 242.0903 Da
Melting point: 186 °C
logP: -1.10Crippen estimate
Polar surface area: 104.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
Stereocentres: S, R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

3424-98-4

SMILES

Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1O

InChIKey

IQFYYKKMVGJFEH-CSMHCCOUSA-N

InChI

InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1

Weigh it out

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

Names and synonyms

12 names

2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-5-methyl-
Thymine, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-
1-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
2′-Deoxy-L-thymidine
L-Thymidine
β-L-Thymidine
Epavudine
NV 02B
Sebivo
L-Deoxythymidine
Tyzeka
32: PN: WO2016077321 SEQID: 32 claimed sequence

Work with Telbivudine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thymidine50-89-5Enantiomer

Similar compounds

5-Iodo-2′-deoxyuridine54-42-278 % similar Edoxudin15176-29-175 % similar 3′-Fluorothymidine25526-93-674 % similar 5-Chloro-2′-deoxyuridine50-90-874 % similar Floxuridine50-91-974 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-574 % similar Bromodeoxyuridine59-14-374 % similar 5-Ethynyl-2′-deoxyuridine61135-33-970 % similar

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

Same formula

HC Yellow 459820-43-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook