Stavudine

C₁₀H₁₂N₂O₄CAS 3056-17-5224.22 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Phenol

Properties

Molecular formula: C₁₀H₁₂N₂O₄
Molar mass: 224.22 g/mol
Exact mass: 224.0797 Da
Melting point: 165–166 °C
Water solubility: 83 g/L (23 °C)
logP: -0.30Crippen estimate
Polar surface area: 84.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H341 Suspected of causing genetic defects33.3% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers
H362 May cause harm to breast-fed children33.3% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3056-17-5

SMILES

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

InChIKey

XNKLLVCARDGLGL-JGVFFNPUSA-N

InChI

InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1

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Names and synonyms

19 names · show all

Thymidine, 2′,3′-didehydro-3′-deoxy-
Thymine, 1-(2,3-dideoxy-β-D-glycero-pent-2-enofuranosyl)-
2,4(1H,3H)-Pyrimidinedione, 1-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-5-methyl-
2′-Thymidinene, 3′-deoxy-
2′,3′-Didehydro-3′-deoxythymidine
d4T
3′-Deoxy-2′,3′-didehydrothymidine
BMY 27857
D 4T (Nucleoside)
Sanilvudine
Zerit
NSC 163661
Stavir
Virostav
Stag
Avostav
Staduvine
Melxicap
2′,3′-Didehydro-2′,3′-dideoxythymidine

Work with Stavudine

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

5-Methyluridine1463-10-157 % similar Telbivudine3424-98-457 % similar Thymidine50-89-557 % similar 1-Beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-257 % similar 3′-Fluorothymidine25526-93-656 % similar Clevudine163252-36-653 % similar 5-Methyl-2′-O-methyluridine55486-09-453 % similar Azidothymidine30516-87-151 % similar

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

Same formula

N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-5 3-Hydroxykynurenine2147-61-7 (βS)-β-Amino-4-nitrobenzenebutanoic acid270062-87-8 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-4

Elsewhere

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