Basic information
- CAS
25526-94-7- Standard SMILES
Cc1cn([C@H]2C[C@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
KQVJDKGDGLWBQT-XLPZGREQSA-N- Molecular formula
- C10H13ClN2O4
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0563846
Names & identifiers
- Preferred name
- Thymidine, 3'-chloro-3'-deoxy-
- IUPAC
- 1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- ZIDOVUDINE RELATED COMPOUND B (25 MG) (3'-CHLORO-3'-DEOXYTHYMIDINE)
- Molecular formula
- C10H13ClN2O4
- Molecular weight
- 260.67
Names & synonyms
3'-Chloro-3'-deoxythymidineThymidine, 3'-chloro-3'-deoxy-UNII-8GQZ0LXH0C8GQZ0LXH0CDTXSID101802263'-DESOXY-3'-CHLOROTHYMIDINEZIDOVUDINE IMPURITY B [WHO-IP]ZIDOVUDINE IMPURITY B [EP IMPURITY]1-(3-Chloro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione1-(3-CHLORO-2,3-DIDEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE1-(3-CHLORO-2,3-DIDEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE (3'-CHLORO-3'-DEOXYTHIMIDINE)ZIDOVUDINE IMPURITY B (EP IMPURITY)
Show more names
ClddTZidovudine impurity B RS3'-Desoxy-3'-chlor-thymidinZidovudine Related CoMpound BZidovudine USP Related Compound B3’-Deoxy-3’-chloro-5-methyluridine
RefChem:203295DTXCID201027171-(3-CHLORO-2,3-DIDEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE (3'-CHLORO-3'-DEOXYTHIMIDINE)ZIDOVUDINE IMPURITY B25526-94-7Zidovudine EP Impurity B1-((2R,4S,5R)-4-Chloro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione3'-deoxy-3'-chlorothymidine
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 180 · 180-182 °C
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.55 · 9.55±0.10(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C10H13ClN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
- InChIKey
- KQVJDKGDGLWBQT-SPDVFEMOSA-N
- SMILES
- Cl[C@@H]1[C@H](O[C@H](C1)[n]2[c]([nH][c](c(c2)C)=O)=O)CO
- FDA UNII
- 8 GQZ0LXH0C · 8GQZ0LXH0C
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302;H315;H319;H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- hs_code
- 2934990002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302;H315;H319;H335
- Precautionary statements
- P261;P305+P351+P338
Chemistry & industry
Applications
Uses3''-Chloro-3''-deoxythymidine (Zidovudine EP Impurity B) is an impurity of 3''-Azido-3''-deoxythymidine (A825000), a potent and selective inhibitor of HIV-1 replication and a potential antiviral agent.
Uses3'-Chloro-3'-deoxythymidine is an impurity of 3'-Azido-3'-deoxythymidine (A825000), a potent and selective inhibitor of HIV-1 replication and a potential antiviral agent.
Suppliers64 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市健竹科技有限公司0755-89218110 13480856786 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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